GET /third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=12172
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=12173",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=12171",
    "results": [
        {
            "id": "mp-1196553",
            "created_at": "2022-09-04T14:45:36.857464Z",
            "structure_string": "Nb26 Co80 Si62\n1.0\n8.576652 -14.855197 0.000000\n8.576652 14.855197 0.000000\n0.000000 0.000000 7.873634\nNb Co Si\n26 80 62\ndirect\n0.727326 0.727326 0.702097 Nb\n0.272674 0.000000 0.702097 Nb\n0.000000 0.272674 0.702097 Nb\n0.272674 0.272674 0.702097 Nb\n0.727326 0.000000 0.702097 Nb\n0.000000 0.727326 0.702097 Nb\n0.272674 0.272674 0.297903 Nb\n0.727326 0.000000 0.297903 Nb\n0.000000 0.727326 0.297903 Nb\n0.727326 0.727326 0.297903 Nb\n0.272674 0.000000 0.297903 Nb\n0.000000 0.272674 0.297903 Nb\n0.423019 0.576981 0.500000 Nb\n0.423019 0.846038 0.500000 Nb\n0.153962 0.576981 0.500000 Nb\n0.576981 0.423019 0.500000 Nb\n0.846038 0.423019 0.500000 Nb\n0.576981 0.153962 0.500000 Nb\n0.756088 0.243912 0.000000 Nb\n0.756088 0.512176 0.000000 Nb\n0.487824 0.243912 0.000000 Nb\n0.243912 0.756088 0.000000 Nb\n0.512176 0.756088 0.000000 Nb\n0.243912 0.487824 0.000000 Nb\n0.000000 0.000000 0.800403 Nb\n0.000000 0.000000 0.199597 Nb\n0.897121 0.342251 0.771206 Co\n0.657749 0.554870 0.771206 Co\n0.445130 0.102879 0.771206 Co\n0.342251 0.897121 0.771206 Co\n0.554870 0.657749 0.771206 Co\n0.102879 0.445130 0.771206 Co\n0.102879 0.657749 0.771206 Co\n0.342251 0.445130 0.771206 Co\n0.554870 0.897121 0.771206 Co\n0.657749 0.102879 0.771206 Co\n0.445130 0.342251 0.771206 Co\n0.897121 0.554870 0.771206 Co\n0.102879 0.657749 0.228794 Co\n0.342251 0.445130 0.228794 Co\n0.554870 0.897121 0.228794 Co\n0.657749 0.102879 0.228794 Co\n0.445130 0.342251 0.228794 Co\n0.897121 0.554870 0.228794 Co\n0.897121 0.342251 0.228794 Co\n0.657749 0.554870 0.228794 Co\n0.445130 0.102879 0.228794 Co\n0.342251 0.897121 0.228794 Co\n0.554870 0.657749 0.228794 Co\n0.102879 0.445130 0.228794 Co\n0.914528 0.235551 0.000000 Co\n0.764449 0.678977 0.000000 Co\n0.321023 0.085472 0.000000 Co\n0.235551 0.914528 0.000000 Co\n0.678977 0.764449 0.000000 Co\n0.085472 0.321023 0.000000 Co\n0.085472 0.764449 0.000000 Co\n0.235551 0.321023 0.000000 Co\n0.678977 0.914528 0.000000 Co\n0.764449 0.085472 0.000000 Co\n0.321023 0.235551 0.000000 Co\n0.914528 0.678977 0.000000 Co\n0.911232 0.088768 0.756655 Co\n0.911232 0.822464 0.756655 Co\n0.177536 0.088768 0.756655 Co\n0.088768 0.911232 0.756655 Co\n0.822464 0.911232 0.756655 Co\n0.088768 0.177536 0.756655 Co\n0.088768 0.911232 0.243345 Co\n0.088768 0.177536 0.243345 Co\n0.822464 0.911232 0.243345 Co\n0.911232 0.088768 0.243345 Co\n0.177536 0.088768 0.243345 Co\n0.911232 0.822464 0.243345 Co\n0.738352 0.261648 0.657362 Co\n0.738352 0.476704 0.657362 Co\n0.523296 0.261648 0.657362 Co\n0.261648 0.738352 0.657362 Co\n0.476704 0.738352 0.657362 Co\n0.261648 0.523296 0.657362 Co\n0.261648 0.738352 0.342638 Co\n0.261648 0.523296 0.342638 Co\n0.476704 0.738352 0.342638 Co\n0.738352 0.261648 0.342638 Co\n0.523296 0.261648 0.342638 Co\n0.738352 0.476704 0.342638 Co\n0.858240 0.141760 0.500000 Co\n0.858240 0.716480 0.500000 Co\n0.283520 0.141760 0.500000 Co\n0.141760 0.858240 0.500000 Co\n0.716480 0.858240 0.500000 Co\n0.141760 0.283520 0.500000 Co\n0.455499 0.544501 0.000000 Co\n0.455499 0.910998 0.000000 Co\n0.089002 0.544501 0.000000 Co\n0.544501 0.455499 0.000000 Co\n0.910998 0.455499 0.000000 Co\n0.544501 0.089002 0.000000 Co\n0.581520 0.581520 0.500000 Co\n0.418480 0.000000 0.500000 Co\n0.000000 0.418480 0.500000 Co\n0.418480 0.418480 0.500000 Co\n0.581520 0.000000 0.500000 Co\n0.000000 0.581520 0.500000 Co\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.871531 0.282233 0.500000 Si\n0.717767 0.589298 0.500000 Si\n0.410702 0.128469 0.500000 Si\n0.282233 0.871531 0.500000 Si\n0.589298 0.717767 0.500000 Si\n0.128469 0.410702 0.500000 Si\n0.128469 0.717767 0.500000 Si\n0.282233 0.410702 0.500000 Si\n0.589298 0.871531 0.500000 Si\n0.717767 0.128469 0.500000 Si\n0.410702 0.282233 0.500000 Si\n0.871531 0.589298 0.500000 Si\n0.821226 0.178774 0.764693 Si\n0.821226 0.642453 0.764693 Si\n0.357547 0.178774 0.764693 Si\n0.178774 0.821226 0.764693 Si\n0.642453 0.821226 0.764693 Si\n0.178774 0.357547 0.764693 Si\n0.178774 0.821226 0.235307 Si\n0.178774 0.357547 0.235307 Si\n0.642453 0.821226 0.235307 Si\n0.821226 0.178774 0.235307 Si\n0.357547 0.178774 0.235307 Si\n0.821226 0.642453 0.235307 Si\n0.395070 0.604930 0.818493 Si\n0.395070 0.790140 0.818493 Si\n0.209860 0.604930 0.818493 Si\n0.604930 0.395070 0.818493 Si\n0.790140 0.395070 0.818493 Si\n0.604930 0.209860 0.818493 Si\n0.604930 0.395070 0.181507 Si\n0.604930 0.209860 0.181507 Si\n0.790140 0.395070 0.181507 Si\n0.395070 0.604930 0.181507 Si\n0.209860 0.604930 0.181507 Si\n0.395070 0.790140 0.181507 Si\n0.854685 0.854685 0.500000 Si\n0.145315 0.000000 0.500000 Si\n0.000000 0.145315 0.500000 Si\n0.145315 0.145315 0.500000 Si\n0.854685 0.000000 0.500000 Si\n0.000000 0.854685 0.500000 Si\n0.838753 0.838753 0.000000 Si\n0.161247 0.000000 0.000000 Si\n0.000000 0.161247 0.000000 Si\n0.161247 0.161247 0.000000 Si\n0.838753 0.000000 0.000000 Si\n0.000000 0.838753 0.000000 Si\n0.612328 0.612328 0.000000 Si\n0.387672 0.000000 0.000000 Si\n0.000000 0.387672 0.000000 Si\n0.387672 0.387672 0.000000 Si\n0.612328 0.000000 0.000000 Si\n0.000000 0.612328 0.000000 Si\n0.500000 0.500000 0.739072 Si\n0.500000 0.000000 0.739072 Si\n0.000000 0.500000 0.739072 Si\n0.500000 0.500000 0.260928 Si\n0.500000 0.000000 0.260928 Si\n0.000000 0.500000 0.260928 Si\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
            "nsites": 168,
            "nelements": 3,
            "elements": [
                "Nb",
                "Co",
                "Si"
            ],
            "chemical_system": "Co-Nb-Si",
            "density": 7.342531726818159,
            "density_atomic": 0.08373516080300629,
            "volume": 2006.3256389419678,
            "volume_molar": 7.1918901238723025,
            "formula_full": "Nb26 Co80 Si62",
            "formula_reduced": "Nb13Co40Si31",
            "formula_anonymous": "A13B31C40",
            "energy": -1261.85552796,
            "energy_per_atom": -7.511044809285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1266.25752796,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2415057,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:10.467000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1182635",
            "created_at": "2022-09-04T14:42:02.995869Z",
            "structure_string": "Ba32 Ca4 Y8 U16 O96\n1.0\n12.399728 0.000000 0.000000\n0.000000 12.412704 0.000000\n0.000000 0.000000 17.632689\nBa Ca Y U O\n32 4 8 16 96\ndirect\n0.500000 0.275991 0.115970 Ba\n0.500000 0.275991 0.884030 Ba\n0.771591 0.500000 0.616455 Ba\n0.228409 0.500000 0.383545 Ba\n0.500000 0.724009 0.884030 Ba\n0.500000 0.724009 0.115970 Ba\n-0.000000 0.258431 0.618353 Ba\n0.723507 -0.000000 0.617593 Ba\n-0.000000 0.770379 0.881462 Ba\n0.771591 0.500000 0.383545 Ba\n0.753520 -0.000000 0.120636 Ba\n0.753520 -0.000000 0.879364 Ba\n0.253891 0.500000 0.117466 Ba\n-0.000000 0.741569 0.618353 Ba\n0.276493 -0.000000 0.617593 Ba\n-0.000000 0.741569 0.381647 Ba\n-0.000000 0.258431 0.381647 Ba\n0.500000 0.746861 0.618204 Ba\n0.500000 0.746861 0.381796 Ba\n-0.000000 0.229621 0.118538 Ba\n0.253891 0.500000 0.882534 Ba\n0.500000 0.253139 0.381796 Ba\n0.228409 0.500000 0.616455 Ba\n0.500000 0.253139 0.618204 Ba\n0.723507 -0.000000 0.382407 Ba\n0.746109 0.500000 0.117466 Ba\n0.246480 -0.000000 0.120636 Ba\n0.746109 0.500000 0.882534 Ba\n0.276493 -0.000000 0.382407 Ba\n-0.000000 0.229621 0.881462 Ba\n-0.000000 0.770379 0.118538 Ba\n0.246480 -0.000000 0.879364 Ba\n0.500000 0.500000 0.500000 Ca\n-0.000000 -0.000000 0.500000 Ca\n0.500000 -0.000000 -0.000000 Ca\n-0.000000 0.500000 -0.000000 Ca\n0.749422 0.249934 0.249984 Y\n0.250578 0.750066 0.249984 Y\n0.749422 0.750066 0.249984 Y\n0.250578 0.750066 0.750016 Y\n0.250578 0.249934 0.750016 Y\n0.749422 0.750066 0.750016 Y\n0.250578 0.249934 0.249984 Y\n0.749422 0.249934 0.750016 Y\n0.500000 0.500000 0.746911 U\n-0.000000 -0.000000 0.745391 U\n0.747938 0.750879 0.500000 U\n0.252062 0.249121 0.500000 U\n0.500000 0.500000 0.253089 U\n0.252062 0.750879 0.500000 U\n-0.000000 0.500000 0.750903 U\n-0.000000 -0.000000 0.254609 U\n0.750943 0.252036 -0.000000 U\n0.500000 -0.000000 0.756308 U\n0.750943 0.747964 -0.000000 U\n0.249057 0.747964 -0.000000 U\n0.747938 0.249121 0.500000 U\n0.500000 -0.000000 0.243692 U\n-0.000000 0.500000 0.249097 U\n0.249057 0.252036 -0.000000 U\n0.382106 0.623714 0.751237 O\n0.626789 0.633513 0.500000 O\n0.743488 0.748662 0.377350 O\n0.625020 0.117865 0.754432 O\n0.135556 0.375831 -0.000000 O\n0.373211 0.366487 0.500000 O\n0.374980 0.117865 0.245568 O\n0.877771 0.379958 0.255455 O\n-0.000000 0.500000 0.636369 O\n0.130322 0.857885 -0.000000 O\n0.364873 0.866398 0.500000 O\n0.130115 0.133412 0.500000 O\n0.120503 0.122982 0.249933 O\n0.135556 0.624169 -0.000000 O\n0.137759 0.365373 0.500000 O\n0.500000 -0.000000 0.357642 O\n0.374980 0.117865 0.754432 O\n0.625020 0.117865 0.245568 O\n0.864444 0.375831 -0.000000 O\n-0.000000 0.500000 0.133578 O\n0.877771 0.379958 0.744545 O\n0.500000 -0.000000 0.870799 O\n0.120503 0.122982 0.750067 O\n0.869678 0.142115 -0.000000 O\n0.122229 0.620042 0.744545 O\n0.635127 0.133602 0.500000 O\n0.635127 0.866398 0.500000 O\n-0.000000 0.500000 0.363631 O\n0.862241 0.365373 0.500000 O\n0.247419 0.257162 0.122727 O\n0.625020 0.882135 0.754432 O\n0.862241 0.634627 0.500000 O\n0.373211 0.633513 0.500000 O\n0.617894 0.623714 0.751237 O\n0.864444 0.624169 -0.000000 O\n0.632455 0.363510 -0.000000 O\n0.752581 0.257162 0.122727 O\n0.500000 0.500000 0.631355 O\n0.500000 0.500000 0.861712 O\n0.500000 0.500000 0.138288 O\n0.879497 0.877018 0.750067 O\n0.122229 0.620042 0.255455 O\n0.374980 0.882135 0.754432 O\n0.500000 -0.000000 0.129201 O\n0.869885 0.133412 0.500000 O\n0.137759 0.634627 0.500000 O\n0.374980 0.882135 0.245568 O\n0.752581 0.742838 0.877273 O\n0.636289 0.128265 -0.000000 O\n0.382106 0.376286 0.751237 O\n-0.000000 -0.000000 0.631201 O\n0.617894 0.623714 0.248763 O\n0.120503 0.877018 0.750067 O\n0.363711 0.871735 -0.000000 O\n0.247419 0.742838 0.877273 O\n0.130322 0.142115 -0.000000 O\n0.120503 0.877018 0.249933 O\n0.122229 0.379958 0.255455 O\n0.500000 0.500000 0.368645 O\n-0.000000 0.500000 0.866422 O\n0.367545 0.363510 -0.000000 O\n0.743488 0.251338 0.622650 O\n0.869678 0.857885 -0.000000 O\n0.632455 0.636490 -0.000000 O\n-0.000000 -0.000000 0.368799 O\n0.617894 0.376286 0.751237 O\n-0.000000 -0.000000 0.859408 O\n0.877771 0.620042 0.744545 O\n0.879497 0.122982 0.750067 O\n0.130115 0.866588 0.500000 O\n0.364873 0.133602 0.500000 O\n0.247419 0.742838 0.122727 O\n0.743488 0.748662 0.622650 O\n0.256512 0.251338 0.622650 O\n0.625020 0.882135 0.245568 O\n0.869885 0.866588 0.500000 O\n0.367545 0.636490 -0.000000 O\n0.256512 0.251338 0.377350 O\n0.743488 0.251338 0.377350 O\n0.382106 0.623714 0.248763 O\n0.382106 0.376286 0.248763 O\n0.247419 0.257162 0.877273 O\n0.256512 0.748662 0.377350 O\n0.636289 0.871735 -0.000000 O\n0.879497 0.122982 0.249933 O\n0.752581 0.257162 0.877273 O\n-0.000000 -0.000000 0.140592 O\n0.363711 0.128265 -0.000000 O\n0.122229 0.379958 0.744545 O\n0.752581 0.742838 0.122727 O\n0.879497 0.877018 0.249933 O\n0.877771 0.620042 0.255455 O\n0.626789 0.366487 0.500000 O\n0.617894 0.376286 0.248763 O\n0.500000 -0.000000 0.642358 O\n0.256512 0.748662 0.622650 O\n",
            "nsites": 156,
            "nelements": 5,
            "elements": [
                "Ba",
                "Ca",
                "Y",
                "U",
                "O"
            ],
            "chemical_system": "Ba-Ca-O-U-Y",
            "density": 6.492095279494068,
            "density_atomic": 0.05748142063385656,
            "volume": 2713.9203986220896,
            "volume_molar": 10.476673494831752,
            "formula_full": "Ba32 Ca4 Y8 U16 O96",
            "formula_reduced": "Ba8CaY2U4O24",
            "formula_anonymous": "AB2C4D8E24",
            "energy": -1333.7866930599998,
            "energy_per_atom": -8.549914699102564,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1267.83469306,
            "band_gap": 1.8908,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0132933,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:44.292000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1201331",
            "created_at": "2022-09-04T14:45:58.691149Z",
            "structure_string": "Si8 B8 H148 C48 N20\n1.0\n16.768793 0.000000 0.000000\n0.000000 12.465315 0.000000\n-2.888862 0.000000 12.636715\nSi B H C N\n8 8 148 48 20\ndirect\n0.378594 0.476985 0.714026 Si\n0.621406 0.976985 0.785974 Si\n0.621406 0.523015 0.285974 Si\n0.378594 0.023015 0.214026 Si\n0.184642 0.215906 0.663423 Si\n0.815357 0.715906 0.836577 Si\n0.815357 0.784094 0.336577 Si\n0.184642 0.284094 0.163423 Si\n0.209689 0.448749 0.702164 B\n0.790311 0.948749 0.797836 B\n0.790311 0.551251 0.297836 B\n0.209689 0.051251 0.202164 B\n0.265380 0.640404 0.720895 B\n0.734620 0.140404 0.779105 B\n0.734620 0.359596 0.279105 B\n0.265380 0.859596 0.220895 B\n0.251236 0.352542 0.595402 H\n0.748764 0.852542 0.904598 H\n0.748764 0.647458 0.404598 H\n0.251236 0.147458 0.095402 H\n0.112005 0.608258 0.527195 H\n0.887995 0.108258 0.972805 H\n0.887995 0.391742 0.472805 H\n0.112005 0.891742 0.027195 H\n0.172007 0.699498 0.470542 H\n0.827993 0.199498 0.029458 H\n0.827993 0.300502 0.529458 H\n0.172007 0.800502 0.970542 H\n0.214382 0.574172 0.522739 H\n0.785618 0.074172 0.977261 H\n0.785618 0.425828 0.477261 H\n0.214382 0.925828 0.022739 H\n0.169689 0.852435 0.597777 H\n0.830311 0.352435 0.902223 H\n0.830311 0.147565 0.402223 H\n0.169689 0.647565 0.097777 H\n0.093509 0.770054 0.632595 H\n0.906491 0.270054 0.867405 H\n0.906491 0.229946 0.367405 H\n0.093509 0.729946 0.132595 H\n0.177241 0.815011 0.732774 H\n0.822759 0.315011 0.767226 H\n0.822759 0.184989 0.267226 H\n0.177241 0.684989 0.232774 H\n0.104576 0.625045 0.793910 H\n0.895424 0.125045 0.706090 H\n0.895424 0.374955 0.206090 H\n0.104576 0.874955 0.293910 H\n0.103424 0.517267 0.883607 H\n0.896576 0.017267 0.616393 H\n0.896576 0.482733 0.116393 H\n0.103424 0.982733 0.383607 H\n0.198445 0.571046 0.868830 H\n0.801555 0.071046 0.631170 H\n0.801555 0.428954 0.131170 H\n0.198445 0.928954 0.368830 H\n0.249773 0.043162 0.629252 H\n0.750227 0.543162 0.870748 H\n0.750227 0.956838 0.370748 H\n0.249773 0.456838 0.129252 H\n0.267128 0.143467 0.540499 H\n0.732872 0.643467 0.959501 H\n0.732872 0.856533 0.459501 H\n0.267128 0.356533 0.040499 H\n0.326501 0.141396 0.672466 H\n0.673499 0.641396 0.827534 H\n0.673499 0.858604 0.327534 H\n0.326501 0.358604 0.172466 H\n0.301384 0.871001 0.844394 H\n0.698616 0.371001 0.655606 H\n0.698616 0.128999 0.155606 H\n0.301384 0.628999 0.344394 H\n0.397631 0.830558 0.821746 H\n0.602369 0.330558 0.678254 H\n0.602369 0.169442 0.178254 H\n0.397631 0.669442 0.321746 H\n0.312240 0.842551 0.712937 H\n0.687760 0.342551 0.787063 H\n0.687760 0.157449 0.287063 H\n0.312240 0.657449 0.212937 H\n0.078057 0.083771 0.586340 H\n0.921943 0.583771 0.913660 H\n0.921943 0.916229 0.413660 H\n0.078057 0.416229 0.086340 H\n0.029835 0.208558 0.596506 H\n0.970165 0.708558 0.903494 H\n0.970165 0.791442 0.403494 H\n0.029835 0.291442 0.096506 H\n0.082616 0.187138 0.493642 H\n0.917384 0.687138 0.006358 H\n0.917384 0.812862 0.506358 H\n0.082616 0.312862 0.993642 H\n0.447954 0.417452 0.575275 H\n0.552046 0.917452 0.924725 H\n0.552046 0.582548 0.424725 H\n0.447954 0.082548 0.075275 H\n0.369025 0.325168 0.579501 H\n0.630975 0.825168 0.920499 H\n0.630975 0.674832 0.420499 H\n0.369025 0.174832 0.079501 H\n0.345850 0.451708 0.515178 H\n0.654150 0.951708 0.984822 H\n0.654150 0.548292 0.484822 H\n0.345850 0.048292 0.015178 H\n0.034040 0.378771 0.752897 H\n0.965960 0.878771 0.747103 H\n0.965960 0.621229 0.247103 H\n0.034040 0.121229 0.252897 H\n0.013994 0.496236 0.673511 H\n0.986006 0.996236 0.826489 H\n0.986006 0.503764 0.326489 H\n0.013994 0.003764 0.173511 H\n0.060175 0.383195 0.626372 H\n0.939825 0.883195 0.873628 H\n0.939825 0.616805 0.373628 H\n0.060175 0.116805 0.126372 H\n0.466199 0.630836 0.802980 H\n0.533801 0.130836 0.697020 H\n0.533801 0.369164 0.197020 H\n0.466199 0.869164 0.302980 H\n0.512219 0.557566 0.714369 H\n0.487781 0.057566 0.785631 H\n0.487781 0.442434 0.285631 H\n0.512219 0.942434 0.214369 H\n0.434485 0.652299 0.664258 H\n0.565515 0.152299 0.835742 H\n0.565515 0.347701 0.335742 H\n0.434485 0.847701 0.164258 H\n0.477665 0.348079 0.819344 H\n0.522335 0.848079 0.680656 H\n0.522335 0.651921 0.180656 H\n0.477665 0.151921 0.319344 H\n0.422920 0.417202 0.901602 H\n0.577080 0.917202 0.598398 H\n0.577080 0.582798 0.098398 H\n0.422920 0.082798 0.401602 H\n0.376138 0.309239 0.820312 H\n0.623862 0.809239 0.679688 H\n0.623862 0.690761 0.179688 H\n0.376138 0.190761 0.320312 H\n0.412590 0.675232 0.934971 H\n0.587410 0.175232 0.565029 H\n0.587410 0.324768 0.065029 H\n0.412590 0.824768 0.434971 H\n0.319580 0.706640 0.972008 H\n0.680420 0.206640 0.527992 H\n0.680420 0.293360 0.027992 H\n0.319580 0.793360 0.472008 H\n0.332460 0.578357 0.916437 H\n0.667540 0.078357 0.583563 H\n0.667540 0.421643 0.083563 H\n0.332460 0.921643 0.416437 H\n0.133652 0.235337 0.831438 H\n0.866348 0.735337 0.668562 H\n0.866348 0.764663 0.168562 H\n0.133652 0.264663 0.331438 H\n0.169914 0.104312 0.814543 H\n0.830086 0.604312 0.685457 H\n0.830086 0.895688 0.185457 H\n0.169914 0.395688 0.314543 H\n0.240427 0.209749 0.859569 H\n0.759573 0.709749 0.640431 H\n0.759573 0.790251 0.140431 H\n0.240427 0.290251 0.359569 H\n0.174584 0.640483 0.534920 C\n0.825416 0.140483 0.965080 C\n0.825416 0.359517 0.465080 C\n0.174584 0.859517 0.034920 C\n0.159997 0.786537 0.650915 C\n0.840003 0.286537 0.849085 C\n0.840003 0.213463 0.349085 C\n0.159997 0.713463 0.150915 C\n0.136427 0.550425 0.825938 C\n0.863573 0.050425 0.674062 C\n0.863573 0.449575 0.174062 C\n0.136427 0.949575 0.325938 C\n0.264731 0.128597 0.623468 C\n0.735269 0.628597 0.876532 C\n0.735269 0.871403 0.376532 C\n0.264731 0.371403 0.123468 C\n0.330902 0.817417 0.795787 C\n0.669098 0.317417 0.704213 C\n0.669098 0.182583 0.204213 C\n0.330902 0.682583 0.295787 C\n0.084026 0.171106 0.577420 C\n0.915974 0.671106 0.922580 C\n0.915974 0.828894 0.422580 C\n0.084026 0.328894 0.077420 C\n0.384283 0.411032 0.583952 C\n0.615717 0.911032 0.916048 C\n0.615717 0.588968 0.416048 C\n0.384283 0.088968 0.083952 C\n0.058254 0.430109 0.697214 C\n0.941746 0.930109 0.802786 C\n0.941746 0.569891 0.302786 C\n0.058254 0.069891 0.197214 C\n0.453930 0.590942 0.725666 C\n0.546070 0.090942 0.774334 C\n0.546070 0.409058 0.274334 C\n0.453930 0.909058 0.225666 C\n0.417023 0.378704 0.823953 C\n0.582977 0.878704 0.676047 C\n0.582977 0.621296 0.176047 C\n0.417023 0.121296 0.323953 C\n0.345463 0.664214 0.911841 C\n0.654537 0.164214 0.588159 C\n0.654537 0.335786 0.088159 C\n0.345463 0.835786 0.411841 C\n0.181913 0.190203 0.805440 C\n0.818087 0.690203 0.694560 C\n0.818087 0.809797 0.194560 C\n0.181913 0.309797 0.305440 C\n0.279397 0.523396 0.716891 N\n0.720603 0.023396 0.783109 N\n0.720603 0.476604 0.283109 N\n0.279397 0.976604 0.216891 N\n0.205584 0.690474 0.637303 N\n0.794416 0.190474 0.862697 N\n0.794416 0.309526 0.362697 N\n0.205584 0.809526 0.137303 N\n0.138834 0.472551 0.743570 N\n0.861166 0.972551 0.756430 N\n0.861166 0.527449 0.256430 N\n0.138834 0.027449 0.243570 N\n0.211461 0.349003 0.644314 N\n0.788539 0.849003 0.855686 N\n0.788539 0.650997 0.355686 N\n0.211461 0.150997 0.144314 N\n0.311446 0.705077 0.806373 N\n0.688554 0.205077 0.693627 N\n0.688554 0.294923 0.193627 N\n0.311446 0.794923 0.306373 N\n",
            "nsites": 232,
            "nelements": 5,
            "elements": [
                "Si",
                "B",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "B-C-H-N-Si",
            "density": 0.8279304949592635,
            "density_atomic": 0.08783118308875906,
            "volume": 2641.430888680494,
            "volume_molar": 6.856495094588718,
            "formula_full": "Si8 B8 H148 C48 N20",
            "formula_reduced": "Si2B2H37C12N5",
            "formula_anonymous": "A2B2C5D12E37",
            "energy": -1275.39193213,
            "energy_per_atom": -5.497379017801724,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1268.17193213,
            "band_gap": 3.2505,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.086593,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:15.837000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1198719",
            "created_at": "2022-09-04T14:39:42.143018Z",
            "structure_string": "K6 Al10 P16 H84 O100\n1.0\n-4.385923 -7.596642 0.000000\n-8.771846 0.000000 0.000000\n-4.385923 -2.532214 -32.012200\nK Al P H O\n6 10 16 84 100\ndirect\n0.750000 0.172439 0.750000 K\n0.327561 0.750000 0.750000 K\n0.172439 0.327561 0.750000 K\n0.672439 0.250000 0.250000 K\n0.827561 0.672439 0.250000 K\n0.250000 0.827561 0.250000 K\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.048877 0.048877 0.853368 Al\n0.548877 0.548877 0.353368 Al\n0.951123 0.951123 0.146632 Al\n0.451123 0.451123 0.646632 Al\n0.702702 0.702702 0.891895 Al\n0.202702 0.202702 0.391895 Al\n0.297298 0.297298 0.108105 Al\n0.797298 0.797298 0.608105 Al\n0.775351 0.443739 0.819324 P\n0.961585 0.775351 0.819324 P\n0.443739 0.961585 0.819324 P\n0.943739 0.275351 0.319324 P\n0.461585 0.943739 0.319324 P\n0.275351 0.461585 0.319324 P\n0.224649 0.556261 0.180676 P\n0.038415 0.224649 0.180676 P\n0.556261 0.038415 0.180676 P\n0.056261 0.724649 0.680676 P\n0.538415 0.056261 0.680676 P\n0.724649 0.538415 0.680676 P\n0.364784 0.364784 0.905647 P\n0.864784 0.864784 0.405647 P\n0.635216 0.635216 0.094353 P\n0.135216 0.135216 0.594353 P\n0.435557 0.214185 0.831668 H\n0.518590 0.435557 0.831668 H\n0.214185 0.518590 0.831668 H\n0.714185 0.935557 0.331668 H\n0.018590 0.714185 0.331668 H\n0.935557 0.018590 0.331668 H\n0.564443 0.785815 0.168332 H\n0.481410 0.564443 0.168332 H\n0.785815 0.481410 0.168332 H\n0.285815 0.064443 0.668332 H\n0.981410 0.285815 0.668332 H\n0.064443 0.981410 0.668332 H\n0.171731 0.190348 0.900412 H\n0.737509 0.171731 0.900412 H\n0.190348 0.737509 0.900412 H\n0.690348 0.671731 0.400412 H\n0.237509 0.690348 0.400412 H\n0.671731 0.237509 0.400412 H\n0.828269 0.809652 0.099588 H\n0.262491 0.828269 0.099588 H\n0.809652 0.262491 0.099588 H\n0.309652 0.328269 0.599588 H\n0.762491 0.309652 0.599588 H\n0.328269 0.762491 0.599588 H\n0.972836 0.324251 0.887585 H\n0.815328 0.972836 0.887585 H\n0.324251 0.815328 0.887585 H\n0.824251 0.472836 0.387585 H\n0.315328 0.824251 0.387585 H\n0.472836 0.315328 0.387585 H\n0.027164 0.675749 0.112415 H\n0.184672 0.027164 0.112415 H\n0.675749 0.184672 0.112415 H\n0.175749 0.527164 0.612415 H\n0.684672 0.175749 0.612415 H\n0.527164 0.684672 0.612415 H\n0.676025 0.878814 0.955049 H\n0.490112 0.676025 0.955049 H\n0.878814 0.490112 0.955049 H\n0.378814 0.176025 0.455049 H\n0.990112 0.378814 0.455049 H\n0.176025 0.990112 0.455049 H\n0.323975 0.121186 0.044951 H\n0.509888 0.323975 0.044951 H\n0.121186 0.509888 0.044951 H\n0.621186 0.823975 0.544951 H\n0.009888 0.621186 0.544951 H\n0.823975 0.009888 0.544951 H\n0.516446 0.009794 0.923825 H\n0.549935 0.516446 0.923825 H\n0.009794 0.549935 0.923825 H\n0.509794 0.016446 0.423825 H\n0.049935 0.509794 0.423825 H\n0.016446 0.049935 0.423825 H\n0.483554 0.990206 0.076175 H\n0.450065 0.483554 0.076175 H\n0.990206 0.450065 0.076175 H\n0.490206 0.983554 0.576175 H\n0.950065 0.490206 0.576175 H\n0.983554 0.950065 0.576175 H\n0.281639 0.159759 0.972643 H\n0.585959 0.281639 0.972643 H\n0.159759 0.585959 0.972643 H\n0.659759 0.781639 0.472643 H\n0.085959 0.659759 0.472643 H\n0.781639 0.085959 0.472643 H\n0.718361 0.840241 0.027357 H\n0.414041 0.718361 0.027357 H\n0.840241 0.414041 0.027357 H\n0.340241 0.218361 0.527357 H\n0.914041 0.340241 0.527357 H\n0.218361 0.914041 0.527357 H\n0.310395 0.891040 0.998193 H\n0.800372 0.310395 0.998193 H\n0.891040 0.800372 0.998193 H\n0.391040 0.810395 0.498193 H\n0.300372 0.391040 0.498193 H\n0.810395 0.300372 0.498193 H\n0.689605 0.108960 0.001807 H\n0.199628 0.689605 0.001807 H\n0.108960 0.199628 0.001807 H\n0.608960 0.189605 0.501807 H\n0.699628 0.608960 0.501807 H\n0.189605 0.699628 0.501807 H\n0.838074 0.533204 0.783131 O\n0.845591 0.838074 0.783131 O\n0.533204 0.845591 0.783131 O\n0.033204 0.338074 0.283131 O\n0.345591 0.033204 0.283131 O\n0.338074 0.345591 0.283131 O\n0.161926 0.466796 0.216869 O\n0.154409 0.161926 0.216869 O\n0.466796 0.154409 0.216869 O\n0.966796 0.661926 0.716869 O\n0.654409 0.966796 0.716869 O\n0.661926 0.654409 0.716869 O\n0.766000 0.508260 0.861925 O\n0.863814 0.766000 0.861925 O\n0.508260 0.863814 0.861925 O\n0.008260 0.266000 0.361925 O\n0.363814 0.008260 0.361925 O\n0.266000 0.363814 0.361925 O\n0.234000 0.491740 0.138075 O\n0.136186 0.234000 0.138075 O\n0.491740 0.136186 0.138075 O\n0.991740 0.734000 0.638075 O\n0.636186 0.991740 0.638075 O\n0.734000 0.636186 0.638075 O\n0.586060 0.479298 0.809545 O\n0.125097 0.586060 0.809545 O\n0.479298 0.125097 0.809545 O\n0.979298 0.086060 0.309545 O\n0.625097 0.979298 0.309545 O\n0.086060 0.625097 0.309545 O\n0.413940 0.520702 0.190455 O\n0.874903 0.413940 0.190455 O\n0.520702 0.874903 0.190455 O\n0.020702 0.913940 0.690455 O\n0.374903 0.020702 0.690455 O\n0.913940 0.374903 0.690455 O\n0.899789 0.243957 0.820043 O\n0.036211 0.899789 0.820043 O\n0.243957 0.036211 0.820043 O\n0.743957 0.399789 0.320043 O\n0.536211 0.743957 0.320043 O\n0.399789 0.536211 0.320043 O\n0.100211 0.756043 0.179957 O\n0.963789 0.100211 0.179957 O\n0.756043 0.963789 0.179957 O\n0.256043 0.600211 0.679957 O\n0.463789 0.256043 0.679957 O\n0.600211 0.463789 0.679957 O\n0.381206 0.381206 0.856381 O\n0.881206 0.881206 0.356381 O\n0.618794 0.618794 0.143619 O\n0.118794 0.118794 0.643619 O\n0.202525 0.537874 0.920984 O\n0.338617 0.202525 0.920984 O\n0.537874 0.338617 0.920984 O\n0.037874 0.702525 0.420984 O\n0.838617 0.037874 0.420984 O\n0.702525 0.838617 0.420984 O\n0.797475 0.462126 0.079016 O\n0.661383 0.797475 0.079016 O\n0.462126 0.661383 0.079016 O\n0.962126 0.297475 0.579016 O\n0.161383 0.962126 0.579016 O\n0.297475 0.161383 0.579016 O\n0.063774 0.198248 0.890672 O\n0.847306 0.063774 0.890672 O\n0.198248 0.847306 0.890672 O\n0.698248 0.563774 0.390672 O\n0.347306 0.698248 0.390672 O\n0.563774 0.347306 0.390672 O\n0.936226 0.801752 0.109328 O\n0.152694 0.936226 0.109328 O\n0.801752 0.152694 0.109328 O\n0.301752 0.436226 0.609328 O\n0.652694 0.301752 0.609328 O\n0.436226 0.652694 0.609328 O\n0.627154 0.891216 0.927740 O\n0.553890 0.627154 0.927740 O\n0.891216 0.553890 0.927740 O\n0.391216 0.127154 0.427740 O\n0.053890 0.391216 0.427740 O\n0.127154 0.053890 0.427740 O\n0.372846 0.108784 0.072260 O\n0.446110 0.372846 0.072260 O\n0.108784 0.446110 0.072260 O\n0.608784 0.872846 0.572260 O\n0.946110 0.608784 0.572260 O\n0.872846 0.946110 0.572260 O\n0.239713 0.122439 0.000451 O\n0.637397 0.239713 0.000451 O\n0.122439 0.637397 0.000451 O\n0.622439 0.739713 0.500451 O\n0.137397 0.622439 0.500451 O\n0.739713 0.137397 0.500451 O\n0.760287 0.877561 0.999549 O\n0.362603 0.760287 0.999549 O\n0.877561 0.362603 0.999549 O\n0.377561 0.260287 0.499549 O\n0.862603 0.377561 0.499549 O\n0.260287 0.862603 0.499549 O\n",
            "nsites": 216,
            "nelements": 5,
            "elements": [
                "K",
                "Al",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-K-O-P",
            "density": 2.089773720329489,
            "density_atomic": 0.10125711999331426,
            "volume": 2133.1833259158657,
            "volume_molar": 5.9473751183103225,
            "formula_full": "K6 Al10 P16 H84 O100",
            "formula_reduced": "K3Al5P8(H21O25)2",
            "formula_anonymous": "A3B5C8D42E50",
            "energy": -1340.12799513,
            "energy_per_atom": -6.20429627375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1271.42799513,
            "band_gap": 5.0504,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0606718,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:27.398000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1205282",
            "created_at": "2022-09-04T14:45:41.509471Z",
            "structure_string": "K8 Co8 Mo24 As24 O144\n1.0\n15.202955 0.000000 0.000000\n-0.000000 15.202955 0.000000\n0.000000 0.000000 15.202955\nK Co Mo As O\n8 8 24 24 144\ndirect\n0.251804 0.751804 0.748196 K\n0.748196 0.251804 0.751804 K\n0.248196 0.248196 0.248196 K\n0.751804 0.748196 0.251804 K\n0.748196 0.248196 0.251804 K\n0.251804 0.748196 0.248196 K\n0.751804 0.751804 0.751804 K\n0.248196 0.251804 0.748196 K\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n-0.000000 0.000000 -0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.000000 0.500000 Co\n0.341386 0.502746 0.840495 Mo\n0.658614 0.002746 0.659505 Mo\n0.158614 0.497254 0.340495 Mo\n0.841386 0.997254 0.159505 Mo\n0.840495 0.341386 0.502746 Mo\n0.659505 0.658614 0.002746 Mo\n0.340495 0.158614 0.497254 Mo\n0.159505 0.841386 0.997254 Mo\n0.502746 0.840495 0.341386 Mo\n0.002746 0.659505 0.658614 Mo\n0.497254 0.340495 0.158614 Mo\n0.997254 0.159505 0.841386 Mo\n0.658614 0.497254 0.159505 Mo\n0.341386 0.997254 0.340495 Mo\n0.841386 0.502746 0.659505 Mo\n0.158614 0.002746 0.840495 Mo\n0.159505 0.658614 0.497254 Mo\n0.340495 0.341386 0.997254 Mo\n0.659505 0.841386 0.502746 Mo\n0.840495 0.158614 0.002746 Mo\n0.497254 0.159505 0.658614 Mo\n0.997254 0.340495 0.341386 Mo\n0.502746 0.659505 0.841386 Mo\n0.002746 0.840495 0.158614 Mo\n0.511376 0.344632 0.831453 As\n0.488624 0.844632 0.668547 As\n0.988624 0.655368 0.331453 As\n0.011376 0.155368 0.168547 As\n0.831453 0.511376 0.344632 As\n0.668547 0.488624 0.844632 As\n0.331453 0.988624 0.655368 As\n0.168547 0.011376 0.155368 As\n0.344632 0.831453 0.511376 As\n0.844632 0.668547 0.488624 As\n0.655368 0.331453 0.988624 As\n0.155368 0.168547 0.011376 As\n0.488624 0.655368 0.168547 As\n0.511376 0.155368 0.331453 As\n0.011376 0.344632 0.668547 As\n0.988624 0.844632 0.831453 As\n0.168547 0.488624 0.655368 As\n0.331453 0.511376 0.155368 As\n0.668547 0.011376 0.344632 As\n0.831453 0.988624 0.844632 As\n0.655368 0.168547 0.488624 As\n0.155368 0.331453 0.511376 As\n0.344632 0.668547 0.011376 As\n0.844632 0.831453 0.988624 As\n0.454589 0.418298 0.912626 O\n0.545411 0.918298 0.587374 O\n0.045411 0.581702 0.412626 O\n0.954589 0.081702 0.087374 O\n0.912626 0.454589 0.418298 O\n0.587374 0.545411 0.918298 O\n0.412626 0.045411 0.581702 O\n0.087374 0.954589 0.081702 O\n0.418298 0.912626 0.454589 O\n0.918298 0.587374 0.545411 O\n0.581702 0.412626 0.045411 O\n0.081702 0.087374 0.954589 O\n0.545411 0.581702 0.087374 O\n0.454589 0.081702 0.412626 O\n0.954589 0.418298 0.587374 O\n0.045411 0.918298 0.912626 O\n0.087374 0.545411 0.581702 O\n0.412626 0.454589 0.081702 O\n0.587374 0.954589 0.418298 O\n0.912626 0.045411 0.918298 O\n0.581702 0.087374 0.545411 O\n0.081702 0.412626 0.454589 O\n0.418298 0.587374 0.954589 O\n0.918298 0.912626 0.045411 O\n0.264921 0.585934 0.823907 O\n0.735079 0.085934 0.676093 O\n0.235079 0.414066 0.323907 O\n0.764921 0.914066 0.176093 O\n0.823907 0.264921 0.585934 O\n0.676093 0.735079 0.085934 O\n0.323907 0.235079 0.414066 O\n0.176093 0.764921 0.914066 O\n0.585934 0.823907 0.264921 O\n0.085934 0.676093 0.735079 O\n0.414066 0.323907 0.235079 O\n0.914066 0.176093 0.764921 O\n0.735079 0.414066 0.176093 O\n0.264921 0.914066 0.323907 O\n0.764921 0.585934 0.676093 O\n0.235079 0.085934 0.823907 O\n0.176093 0.735079 0.414066 O\n0.323907 0.264921 0.914066 O\n0.676093 0.764921 0.585934 O\n0.823907 0.235079 0.085934 O\n0.414066 0.176093 0.735079 O\n0.914066 0.323907 0.264921 O\n0.585934 0.676093 0.764921 O\n0.085934 0.823907 0.235079 O\n0.290544 0.445657 0.942650 O\n0.709456 0.945657 0.557350 O\n0.209456 0.554343 0.442650 O\n0.790544 0.054343 0.057350 O\n0.942650 0.290544 0.445657 O\n0.557350 0.709456 0.945657 O\n0.442650 0.209456 0.554343 O\n0.057350 0.790544 0.054343 O\n0.445657 0.942650 0.290544 O\n0.945657 0.557350 0.709456 O\n0.554343 0.442650 0.209456 O\n0.054343 0.057350 0.790544 O\n0.709456 0.554343 0.057350 O\n0.290544 0.054343 0.442650 O\n0.790544 0.445657 0.557350 O\n0.209456 0.945657 0.942650 O\n0.057350 0.709456 0.554343 O\n0.442650 0.290544 0.054343 O\n0.557350 0.790544 0.445657 O\n0.942650 0.209456 0.945657 O\n0.554343 0.057350 0.709456 O\n0.054343 0.442650 0.290544 O\n0.445657 0.557350 0.790544 O\n0.945657 0.942650 0.209456 O\n0.319453 0.423610 0.759854 O\n0.680547 0.923610 0.740146 O\n0.180547 0.576390 0.259854 O\n0.819453 0.076390 0.240146 O\n0.759854 0.319453 0.423610 O\n0.740146 0.680547 0.923610 O\n0.259854 0.180547 0.576390 O\n0.240146 0.819453 0.076390 O\n0.423610 0.759854 0.319453 O\n0.923610 0.740146 0.680547 O\n0.576390 0.259854 0.180547 O\n0.076390 0.240146 0.819453 O\n0.680547 0.576390 0.240146 O\n0.319453 0.076390 0.259854 O\n0.819453 0.423610 0.740146 O\n0.180547 0.923610 0.759854 O\n0.240146 0.680547 0.576390 O\n0.259854 0.319453 0.076390 O\n0.740146 0.819453 0.423610 O\n0.759854 0.180547 0.923610 O\n0.576390 0.240146 0.680547 O\n0.076390 0.259854 0.319453 O\n0.423610 0.740146 0.819453 O\n0.923610 0.759854 0.180547 O\n0.581000 0.285145 0.907399 O\n0.419000 0.785145 0.592601 O\n0.919000 0.714855 0.407399 O\n0.081000 0.214855 0.092601 O\n0.907399 0.581000 0.285145 O\n0.592601 0.419000 0.785145 O\n0.407399 0.919000 0.714855 O\n0.092601 0.081000 0.214855 O\n0.285145 0.907399 0.581000 O\n0.785145 0.592601 0.419000 O\n0.714855 0.407399 0.919000 O\n0.214855 0.092601 0.081000 O\n0.419000 0.714855 0.092601 O\n0.581000 0.214855 0.407399 O\n0.081000 0.285145 0.592601 O\n0.919000 0.785145 0.907399 O\n0.092601 0.419000 0.714855 O\n0.407399 0.581000 0.214855 O\n0.592601 0.081000 0.285145 O\n0.907399 0.919000 0.785145 O\n0.714855 0.092601 0.419000 O\n0.214855 0.407399 0.581000 O\n0.285145 0.592601 0.081000 O\n0.785145 0.907399 0.919000 O\n0.421504 0.554745 0.432863 O\n0.578496 0.054745 0.067137 O\n0.078496 0.445255 0.932863 O\n0.921504 0.945255 0.567137 O\n0.432863 0.421504 0.554745 O\n0.067137 0.578496 0.054745 O\n0.932863 0.078496 0.445255 O\n0.567137 0.921504 0.945255 O\n0.554745 0.432863 0.421504 O\n0.054745 0.067137 0.578496 O\n0.445255 0.932863 0.078496 O\n0.945255 0.567137 0.921504 O\n0.578496 0.445255 0.567137 O\n0.421504 0.945255 0.932863 O\n0.921504 0.554745 0.067137 O\n0.078496 0.054745 0.432863 O\n0.567137 0.578496 0.445255 O\n0.932863 0.421504 0.945255 O\n0.067137 0.921504 0.554745 O\n0.432863 0.078496 0.054745 O\n0.445255 0.567137 0.578496 O\n0.945255 0.932863 0.421504 O\n0.554745 0.067137 0.921504 O\n0.054745 0.432863 0.078496 O\n",
            "nsites": 208,
            "nelements": 5,
            "elements": [
                "K",
                "Co",
                "Mo",
                "As",
                "O"
            ],
            "chemical_system": "As-Co-K-Mo-O",
            "density": 3.397223537420729,
            "density_atomic": 0.05919422036337234,
            "volume": 3513.8565678061427,
            "volume_molar": 10.173528298932249,
            "formula_full": "K8 Co8 Mo24 As24 O144",
            "formula_reduced": "KCoMo3(AsO6)3",
            "formula_anonymous": "ABC3D3E18",
            "energy": -1463.70915039,
            "energy_per_atom": -7.037063223028847,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1274.82915039,
            "band_gap": 0.0138,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 39.9998279,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:17.407000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1204230",
            "created_at": "2022-09-04T14:39:48.728886Z",
            "structure_string": "Sr64 Ga32 O112\n1.0\n13.180000 0.000000 -0.157675\n0.000000 15.929532 0.000000\n-0.011654 0.000000 16.000319\nSr Ga O\n64 32 112\ndirect\n0.430606 0.128934 0.329416 Sr\n0.430606 0.871066 0.829416 Sr\n0.446741 0.126888 0.083695 Sr\n0.446741 0.873112 0.583695 Sr\n0.599719 0.988087 0.218245 Sr\n0.599719 0.011913 0.718245 Sr\n0.749331 0.115270 0.082694 Sr\n0.749331 0.884730 0.582694 Sr\n0.758189 0.357495 0.054112 Sr\n0.758189 0.642505 0.554112 Sr\n0.141668 0.109087 0.081145 Sr\n0.141668 0.890913 0.581145 Sr\n0.443186 0.370448 0.332904 Sr\n0.443186 0.629552 0.832904 Sr\n0.102355 0.122928 0.332100 Sr\n0.102355 0.877072 0.832100 Sr\n0.432111 0.384368 0.819853 Sr\n0.432111 0.615632 0.319853 Sr\n0.592646 0.479048 0.202603 Sr\n0.592646 0.520952 0.702603 Sr\n0.084438 0.348821 0.324737 Sr\n0.084438 0.651179 0.824737 Sr\n0.770926 0.620963 0.085923 Sr\n0.770926 0.379037 0.585923 Sr\n0.777932 0.336678 0.333548 Sr\n0.777932 0.663322 0.833548 Sr\n0.937819 0.497390 0.954597 Sr\n0.937819 0.502610 0.454597 Sr\n0.755408 0.402141 0.821788 Sr\n0.755408 0.597859 0.321788 Sr\n0.258590 0.252249 0.942882 Sr\n0.258590 0.747751 0.442882 Sr\n0.749923 0.172505 0.858352 Sr\n0.749923 0.827495 0.358352 Sr\n0.131993 0.370991 0.096773 Sr\n0.131993 0.629009 0.596773 Sr\n0.942651 0.233972 0.153025 Sr\n0.942651 0.766028 0.653025 Sr\n0.947173 0.256927 0.726636 Sr\n0.947173 0.743073 0.226636 Sr\n0.453340 0.869553 0.073309 Sr\n0.453340 0.130447 0.573309 Sr\n0.461041 0.625591 0.075401 Sr\n0.461041 0.374409 0.575401 Sr\n0.089340 0.366789 0.569543 Sr\n0.089340 0.633211 0.069543 Sr\n0.286713 0.252751 0.462039 Sr\n0.286713 0.747249 0.962039 Sr\n0.773240 0.880869 0.059959 Sr\n0.773240 0.119131 0.559959 Sr\n0.114496 0.103651 0.785589 Sr\n0.114496 0.896349 0.285589 Sr\n0.097630 0.432052 0.807531 Sr\n0.097630 0.567948 0.307531 Sr\n0.088206 0.879683 0.063548 Sr\n0.088206 0.120317 0.563548 Sr\n0.429451 0.125349 0.835818 Sr\n0.429451 0.874651 0.335818 Sr\n0.808278 0.888761 0.827225 Sr\n0.808278 0.111239 0.327225 Sr\n0.418469 0.383544 0.058772 Sr\n0.418469 0.616456 0.558772 Sr\n0.943815 0.037732 0.943500 Sr\n0.943815 0.962268 0.443500 Sr\n0.620846 0.245812 0.194052 Ga\n0.620846 0.754188 0.694052 Ga\n0.617432 0.017901 0.951389 Ga\n0.617432 0.982099 0.451389 Ga\n0.575496 0.254109 0.967603 Ga\n0.575496 0.745891 0.467603 Ga\n0.253854 0.265126 0.698289 Ga\n0.253854 0.734874 0.198289 Ga\n0.261142 0.000100 0.441413 Ga\n0.261142 -0.000100 0.941413 Ga\n0.963297 0.255414 0.940790 Ga\n0.963297 0.744586 0.440790 Ga\n0.250198 0.512417 0.962964 Ga\n0.250198 0.487583 0.462964 Ga\n0.274803 0.506707 0.192349 Ga\n0.274803 0.493293 0.692349 Ga\n0.912127 0.479626 0.193891 Ga\n0.912127 0.520374 0.693891 Ga\n0.919790 0.995904 0.189052 Ga\n0.919790 0.004096 0.689052 Ga\n0.611370 0.251663 0.466734 Ga\n0.611370 0.748337 0.966734 Ga\n0.261634 0.234830 0.204738 Ga\n0.261634 0.765170 0.704738 Ga\n0.627822 0.743726 0.198732 Ga\n0.627822 0.256273 0.698732 Ga\n0.291730 0.006712 0.207602 Ga\n0.291730 0.993288 0.707602 Ga\n0.952608 0.763425 0.940518 Ga\n0.952608 0.236575 0.440518 Ga\n0.621036 0.514552 0.955670 Ga\n0.621036 0.485448 0.455670 Ga\n0.763009 0.233518 0.189708 O\n0.763009 0.766482 0.689708 O\n0.602093 0.335758 0.263089 O\n0.602093 0.664242 0.763089 O\n0.559497 0.142632 0.208408 O\n0.559497 0.857368 0.708408 O\n0.577060 0.284264 0.083541 O\n0.577060 0.715736 0.583541 O\n0.759982 0.488302 0.961084 O\n0.759982 0.511698 0.461084 O\n0.118564 0.230218 0.208294 O\n0.118564 0.769782 0.708294 O\n0.120553 0.002621 0.957389 O\n0.120553 0.997379 0.457389 O\n0.597846 0.137212 0.972035 O\n0.597846 0.862788 0.472035 O\n0.600717 0.978135 0.059168 O\n0.600717 0.021865 0.559168 O\n0.270453 0.205307 0.797075 O\n0.270453 0.794693 0.297075 O\n0.533994 0.992365 0.864206 O\n0.533994 0.007635 0.364206 O\n0.100276 0.757835 0.950581 O\n0.100276 0.242165 0.450581 O\n0.082797 0.246650 0.005339 O\n0.082797 0.753350 0.505339 O\n0.445353 0.272932 0.931277 O\n0.445353 0.727068 0.431277 O\n0.170435 0.444461 0.236840 O\n0.170435 0.555539 0.736840 O\n0.951735 0.075495 0.104208 O\n0.951735 0.924505 0.604208 O\n0.974756 0.024095 0.294491 O\n0.974756 0.975905 0.794491 O\n0.264334 0.002560 0.322675 O\n0.264334 0.997440 0.822675 O\n0.305002 0.122359 0.184646 O\n0.305002 0.877641 0.684646 O\n0.946641 0.357752 0.881028 O\n0.946641 0.642248 0.381028 O\n0.417223 0.964862 0.188580 O\n0.417223 0.035138 0.688580 O\n0.959057 0.171963 0.855835 O\n0.959057 0.828037 0.355835 O\n0.119156 0.243855 0.663124 O\n0.119156 0.756145 0.163124 O\n0.311316 0.258875 0.308885 O\n0.311316 0.741125 0.808885 O\n0.767599 0.721536 0.219105 O\n0.767599 0.278464 0.719105 O\n0.932595 0.759636 0.823187 O\n0.932595 0.240364 0.323187 O\n0.777830 0.010670 0.196707 O\n0.777830 0.989330 0.696707 O\n0.971063 0.586406 0.173870 O\n0.971063 0.413594 0.673870 O\n0.114484 0.538035 0.936440 O\n0.114484 0.461965 0.436440 O\n0.926622 0.875204 0.967162 O\n0.926622 0.124796 0.467162 O\n0.407140 0.476356 0.209269 O\n0.407140 0.523644 0.709269 O\n0.852665 0.225414 0.008789 O\n0.852665 0.774586 0.508789 O\n0.722986 0.205803 0.420173 O\n0.722986 0.794197 0.920173 O\n0.680575 0.304486 0.915084 O\n0.680575 0.695514 0.415084 O\n0.936268 0.450283 0.306585 O\n0.936268 0.549717 0.806585 O\n0.770799 0.497180 0.184993 O\n0.770799 0.502820 0.684993 O\n0.565120 0.639693 0.206595 O\n0.565120 0.360307 0.706595 O\n0.477250 0.234189 0.440443 O\n0.477250 0.765811 0.940443 O\n0.346186 0.255354 0.612700 O\n0.346186 0.744646 0.112700 O\n0.944326 0.398483 0.111547 O\n0.944326 0.601517 0.611547 O\n0.943441 0.884254 0.160824 O\n0.943441 0.115746 0.660824 O\n0.312735 0.898149 0.477941 O\n0.312735 0.101851 0.977941 O\n0.295565 0.282548 0.103548 O\n0.295565 0.717452 0.603548 O\n0.624279 0.777794 0.083702 O\n0.624279 0.222206 0.583702 O\n0.255519 0.382060 0.731032 O\n0.255519 0.617940 0.231032 O\n0.564801 0.489186 0.853935 O\n0.564801 0.510814 0.353935 O\n0.591957 0.836062 0.261214 O\n0.591957 0.163938 0.761214 O\n0.341977 0.598047 0.954555 O\n0.341977 0.401953 0.454555 O\n0.283967 0.405655 0.928320 O\n0.283967 0.594345 0.428320 O\n0.555658 0.484746 0.052344 O\n0.555658 0.515254 0.552344 O\n0.236701 0.499841 0.080075 O\n0.236701 0.500159 0.580075 O\n0.170424 0.975233 0.160880 O\n0.170424 0.024767 0.660880 O\n0.630455 0.632299 0.973231 O\n0.630455 0.367701 0.473231 O\n0.758708 0.019571 0.933251 O\n0.758708 0.980429 0.433251 O\n0.911896 0.664823 0.994084 O\n0.911896 0.335177 0.494084 O\n0.314250 0.102225 0.470359 O\n0.314250 0.897775 0.970359 O\n",
            "nsites": 208,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ga",
                "O"
            ],
            "chemical_system": "Ga-O-Sr",
            "density": 4.760645781069295,
            "density_atomic": 0.06191844640883417,
            "volume": 3359.2574113798137,
            "volume_molar": 9.725923548270416,
            "formula_full": "Sr64 Ga32 O112",
            "formula_reduced": "Sr4Ga2O7",
            "formula_anonymous": "A2B4C7",
            "energy": -1352.44487413,
            "energy_per_atom": -6.502138817932693,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1275.50087413,
            "band_gap": 2.9684000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.295000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1198316",
            "created_at": "2022-09-04T14:44:54.051803Z",
            "structure_string": "Gd24 Si16 B8 O80\n1.0\n7.026987 0.000000 0.000000\n0.000000 9.729099 0.000000\n0.000000 0.000000 22.973241\nGd Si B O\n24 16 8 80\ndirect\n0.822594 0.365299 0.163934 Gd\n0.677406 0.865299 0.836066 Gd\n0.322594 0.634701 0.336066 Gd\n0.177406 0.134701 0.663934 Gd\n0.177406 0.634701 0.836066 Gd\n0.322594 0.134701 0.163934 Gd\n0.677406 0.365299 0.663934 Gd\n0.822594 0.865299 0.336066 Gd\n0.096160 0.766657 0.182119 Gd\n0.403840 0.266657 0.817881 Gd\n0.596160 0.233343 0.317881 Gd\n0.903840 0.733343 0.682119 Gd\n0.903840 0.233343 0.817881 Gd\n0.596160 0.733343 0.182119 Gd\n0.403840 0.766657 0.682119 Gd\n0.096160 0.266657 0.317881 Gd\n0.865756 0.009591 0.071926 Gd\n0.634244 0.509591 0.928074 Gd\n0.365756 0.990409 0.428074 Gd\n0.134244 0.490409 0.571926 Gd\n0.134244 0.990409 0.928074 Gd\n0.365756 0.490409 0.071926 Gd\n0.634244 0.009591 0.571926 Gd\n0.865756 0.509591 0.428074 Gd\n0.859100 0.622035 0.078482 Si\n0.640900 0.122035 0.921518 Si\n0.359100 0.377965 0.421518 Si\n0.140900 0.877965 0.578482 Si\n0.140900 0.377965 0.921518 Si\n0.359100 0.877965 0.078482 Si\n0.640900 0.622035 0.578482 Si\n0.859100 0.122035 0.421518 Si\n0.815679 0.062037 0.220732 Si\n0.684321 0.562037 0.779268 Si\n0.315679 0.937963 0.279268 Si\n0.184321 0.437963 0.720732 Si\n0.184321 0.937963 0.779268 Si\n0.315679 0.437963 0.220732 Si\n0.684321 0.062037 0.720732 Si\n0.815679 0.562037 0.279268 Si\n0.661744 0.257147 0.028688 B\n0.838256 0.757147 0.971312 B\n0.161744 0.742853 0.471312 B\n0.338256 0.242853 0.528688 B\n0.338256 0.742853 0.971312 B\n0.161744 0.242853 0.028688 B\n0.838256 0.257147 0.528688 B\n0.661744 0.757147 0.471312 B\n0.871356 0.098692 0.289061 O\n0.628644 0.598692 0.710939 O\n0.371356 0.901308 0.210939 O\n0.128644 0.401308 0.789061 O\n0.128644 0.901308 0.710939 O\n0.371356 0.401308 0.289061 O\n0.628644 0.098692 0.789061 O\n0.871356 0.598692 0.210939 O\n0.856877 0.275136 0.390055 O\n0.643123 0.775136 0.609945 O\n0.356877 0.724864 0.109945 O\n0.143123 0.224864 0.890055 O\n0.143123 0.724864 0.609945 O\n0.356877 0.224864 0.390055 O\n0.643123 0.275136 0.890055 O\n0.856877 0.775136 0.109945 O\n0.798321 0.393303 0.278819 O\n0.701679 0.893303 0.721181 O\n0.298321 0.606697 0.221181 O\n0.201679 0.106697 0.778819 O\n0.201679 0.606697 0.721181 O\n0.298321 0.106697 0.278819 O\n0.701679 0.393303 0.778819 O\n0.798321 0.893303 0.221181 O\n0.162631 0.363735 0.993283 O\n0.337369 0.863735 0.006717 O\n0.662631 0.636265 0.506717 O\n0.837369 0.136265 0.493283 O\n0.837369 0.636265 0.006717 O\n0.662631 0.136265 0.993283 O\n0.337369 0.363735 0.493283 O\n0.162631 0.863735 0.506717 O\n0.582196 0.374682 0.008882 O\n0.917804 0.874682 0.991118 O\n0.082196 0.625318 0.491118 O\n0.417804 0.125318 0.508882 O\n0.417804 0.625318 0.991118 O\n0.082196 0.125318 0.008882 O\n0.917804 0.374682 0.508882 O\n0.582196 0.874682 0.491118 O\n0.672385 0.547152 0.107223 O\n0.827615 0.047152 0.892777 O\n0.172385 0.452848 0.392777 O\n0.327615 0.952848 0.607223 O\n0.327615 0.452848 0.892777 O\n0.172385 0.952848 0.107223 O\n0.827615 0.547152 0.607223 O\n0.672385 0.047152 0.392777 O\n0.624036 0.156260 0.211461 O\n0.875964 0.656260 0.788539 O\n0.124036 0.843740 0.288539 O\n0.375964 0.343740 0.711461 O\n0.375964 0.843740 0.788539 O\n0.124036 0.343740 0.211461 O\n0.875964 0.156260 0.711461 O\n0.624036 0.656260 0.288539 O\n0.965546 0.112291 0.170980 O\n0.534454 0.612291 0.829020 O\n0.465546 0.887709 0.329020 O\n0.034454 0.387709 0.670980 O\n0.034454 0.887709 0.829020 O\n0.465546 0.387709 0.170980 O\n0.534454 0.112291 0.670980 O\n0.965546 0.612291 0.329020 O\n0.746514 0.239593 0.081794 O\n0.753486 0.739593 0.918206 O\n0.246514 0.760407 0.418206 O\n0.253486 0.260407 0.581794 O\n0.253486 0.760407 0.918206 O\n0.246514 0.260407 0.081794 O\n0.753486 0.239593 0.581794 O\n0.746514 0.739593 0.418206 O\n0.042734 0.534154 0.100200 O\n0.457266 0.034154 0.899800 O\n0.542734 0.465846 0.399800 O\n0.957266 0.965846 0.600200 O\n0.957266 0.465846 0.899800 O\n0.542734 0.965846 0.100200 O\n0.457266 0.534154 0.600200 O\n0.042734 0.034154 0.399800 O\n",
            "nsites": 128,
            "nelements": 4,
            "elements": [
                "Gd",
                "Si",
                "B",
                "O"
            ],
            "chemical_system": "B-Gd-O-Si",
            "density": 5.909924694810457,
            "density_atomic": 0.08149780808030133,
            "volume": 1570.5943879359208,
            "volume_molar": 7.389328500793876,
            "formula_full": "Gd24 Si16 B8 O80",
            "formula_reduced": "Gd3Si2BO10",
            "formula_anonymous": "AB2C3D10",
            "energy": -1331.70040089,
            "energy_per_atom": -10.403909381953126,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1276.74040089,
            "band_gap": 2.807,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 56.0101382,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.210000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-685698",
            "created_at": "2022-09-04T14:43:47.988224Z",
            "structure_string": "Re32 Pb32 O108\n1.0\n6.483094 -0.000015 3.743017\n2.161012 6.112275 3.743026\n0.011335 0.008101 59.868646\nRe Pb O\n32 32 108\ndirect\n0.500628 0.500606 0.999765 Re\n0.500253 0.500224 0.062459 Re\n0.499723 0.499725 0.125101 Re\n0.499487 0.000098 0.187616 Re\n0.500224 0.999876 0.062459 Re\n0.999855 0.500215 0.062461 Re\n0.499475 0.499468 0.187618 Re\n0.500231 -0.000098 0.312456 Re\n0.500076 0.500032 0.249982 Re\n0.000102 0.499476 0.187619 Re\n0.500211 0.500229 0.312457 Re\n0.500000 0.500027 0.374994 Re\n-0.000094 0.500225 0.312455 Re\n0.498448 0.498433 0.437989 Re\n0.498452 0.999208 0.437989 Re\n0.499776 -0.000540 0.562622 Re\n0.499380 0.499369 0.500231 Re\n0.999191 0.498452 0.437990 Re\n0.499785 0.499778 0.562622 Re\n0.500058 0.500057 0.624981 Re\n-0.000544 0.499778 0.562622 Re\n0.500097 0.500107 0.687494 Re\n0.499887 -0.000055 0.812532 Re\n0.499836 0.499872 0.750052 Re\n0.500098 -0.000143 0.687491 Re\n-0.000140 0.500095 0.687493 Re\n0.499893 0.499913 0.812530 Re\n0.500382 0.500353 0.874861 Re\n0.501436 0.000848 0.937036 Re\n-0.000042 0.499897 0.812531 Re\n0.501410 0.501419 0.937041 Re\n0.000843 0.501427 0.937040 Re\n0.001097 0.001115 0.000305 Pb\n0.001112 0.495363 0.000303 Pb\n0.495335 0.001123 0.000305 Pb\n0.001985 0.002015 0.125309 Pb\n0.001566 0.001634 0.061899 Pb\n0.493505 0.002024 0.125307 Pb\n0.002169 0.002124 0.250231 Pb\n0.493875 0.002139 0.250229 Pb\n0.002315 0.002336 0.186625 Pb\n0.002000 0.493515 0.125308 Pb\n0.006336 0.006355 0.435124 Pb\n0.494995 -0.000155 0.375662 Pb\n-0.002424 -0.002420 0.500546 Pb\n0.002121 0.002129 0.311699 Pb\n0.002148 0.493903 0.250228 Pb\n0.998539 0.998558 0.563047 Pb\n-0.002400 0.500460 0.500548 Pb\n-0.000164 -0.000146 0.375666 Pb\n0.500450 -0.002397 0.500549 Pb\n-0.000157 0.495001 0.375663 Pb\n0.499749 0.000115 0.624997 Pb\n0.000674 0.000558 0.812269 Pb\n0.000172 0.000148 0.624996 Pb\n0.500238 0.999755 0.750052 Pb\n0.001662 0.001668 0.874404 Pb\n0.000142 0.499765 0.624994 Pb\n0.999830 0.999485 0.750033 Pb\n0.501428 0.001662 0.874401 Pb\n0.999690 0.500351 0.750033 Pb\n0.999892 0.999734 0.687584 Pb\n0.001684 0.501462 0.874401 Pb\n0.001068 0.001072 0.937100 Pb\n0.183730 0.566787 0.022837 O\n0.183172 0.183176 0.070738 O\n0.566772 0.183732 0.022838 O\n0.183167 0.567751 0.070739 O\n0.566785 0.566776 0.022838 O\n0.567750 0.183173 0.070738 O\n0.433676 0.433675 0.102022 O\n0.433800 0.813893 0.054802 O\n0.183244 0.183242 0.195844 O\n0.181728 0.567839 0.147824 O\n0.813893 0.433782 0.054803 O\n0.433678 0.816477 0.102021 O\n0.183243 0.566775 0.195842 O\n0.567848 0.181730 0.147822 O\n0.816481 0.433670 0.102023 O\n0.813888 0.813897 0.054803 O\n0.566792 0.183223 0.195845 O\n0.567849 0.567834 0.147823 O\n0.435669 0.435685 0.226808 O\n0.182577 0.182569 0.320856 O\n0.434715 0.815883 0.179191 O\n0.183399 0.566570 0.272934 O\n0.815875 0.434736 0.179190 O\n0.875525 0.875529 0.109175 O\n0.435674 0.814178 0.226809 O\n0.566535 0.183415 0.272938 O\n0.182557 0.568021 0.320858 O\n0.814162 0.435700 0.226804 O\n0.815874 0.815875 0.179189 O\n0.567999 0.182567 0.320858 O\n0.566529 0.566561 0.272937 O\n0.434662 0.434657 0.351858 O\n0.179909 0.569970 0.397518 O\n0.434541 0.815525 0.304302 O\n0.190326 0.190325 0.444599 O\n0.815544 0.434511 0.304300 O\n0.875065 0.875088 0.234348 O\n0.569991 0.179910 0.397518 O\n0.129793 0.129795 0.513825 O\n0.434680 0.815813 0.351856 O\n0.190321 0.562559 0.444600 O\n0.815830 0.434644 0.351859 O\n0.562561 0.190328 0.444599 O\n0.815532 0.815535 0.304302 O\n0.569979 0.569990 0.397517 O\n0.439592 0.439584 0.476281 O\n0.184720 0.562682 0.523739 O\n0.436435 0.817121 0.428666 O\n0.185071 0.185072 0.570865 O\n0.562683 0.184721 0.523738 O\n0.817116 0.436428 0.428668 O\n0.874823 0.874825 0.359440 O\n0.439593 0.810571 0.476279 O\n0.125175 0.125150 0.640561 O\n0.185064 0.562934 0.570867 O\n0.810565 0.439598 0.476279 O\n0.562681 0.562685 0.523740 O\n0.817115 0.817118 0.428667 O\n0.562941 0.185056 0.570868 O\n0.436649 0.813188 0.554622 O\n0.436856 0.436849 0.601710 O\n0.187644 0.187645 0.695203 O\n0.186306 0.563353 0.648374 O\n0.813181 0.436668 0.554622 O\n0.892764 0.892777 0.477711 O\n0.187643 0.563091 0.695203 O\n0.563353 0.186287 0.648372 O\n0.124835 0.124813 0.765691 O\n0.436861 0.812619 0.601711 O\n0.813182 0.813183 0.554622 O\n0.812606 0.436860 0.601709 O\n0.563086 0.187645 0.695203 O\n0.563359 0.563368 0.648372 O\n0.436730 0.436721 0.726619 O\n0.186342 0.186342 0.820502 O\n0.437019 0.812424 0.679767 O\n0.187309 0.563007 0.773335 O\n0.812412 0.437040 0.679767 O\n0.186347 0.563310 0.820499 O\n0.562988 0.187310 0.773335 O\n0.875901 0.875901 0.609034 O\n0.119968 0.119961 0.892511 O\n0.436714 0.813599 0.726619 O\n0.812421 0.812426 0.679766 O\n0.813598 0.436734 0.726619 O\n0.563298 0.186344 0.820501 O\n0.563002 0.563004 0.773335 O\n0.436708 0.814756 0.804222 O\n0.181153 0.181160 0.946700 O\n0.437220 0.437235 0.851351 O\n0.189937 0.559166 0.898968 O\n0.814732 0.436742 0.804224 O\n0.874944 0.874936 0.734398 O\n0.181150 0.564091 0.946701 O\n0.559138 0.189960 0.898972 O\n0.437212 0.814744 0.851353 O\n0.814734 0.814733 0.804224 O\n0.564064 0.181164 0.946701 O\n0.814744 0.437223 0.851350 O\n0.559142 0.559159 0.898970 O\n0.434449 0.434424 0.976857 O\n0.437758 0.811518 0.929900 O\n0.811537 0.437732 0.929899 O\n0.873731 0.873727 0.859853 O\n0.434454 0.816253 0.976855 O\n0.816263 0.434436 0.976857 O\n0.811527 0.811529 0.929899 O\n0.857087 0.857100 0.991091 O\n",
            "nsites": 172,
            "nelements": 3,
            "elements": [
                "Re",
                "Pb",
                "O"
            ],
            "chemical_system": "O-Pb-Re",
            "density": 10.022737575764747,
            "density_atomic": 0.07251284112380976,
            "volume": 2371.993668077686,
            "volume_molar": 8.304930087786364,
            "formula_full": "Re32 Pb32 O108",
            "formula_reduced": "Re8Pb8O27",
            "formula_anonymous": "A8B8C27",
            "energy": -1351.91570083,
            "energy_per_atom": -7.859975004825582,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1277.71970083,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 42.4287226,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:18.862000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1197352",
            "created_at": "2022-09-04T14:42:05.979215Z",
            "structure_string": "In4 Si16 H164 C60 O4\n1.0\n0.000000 -9.596400 0.000000\n-17.001747 0.000000 2.632518\n0.004918 0.000000 -17.314828\nIn Si H C O\n4 16 164 60 4\ndirect\n0.469914 0.904653 0.530430 In\n0.030086 0.404653 0.030430 In\n0.530086 0.095347 0.469570 In\n0.969914 0.595347 0.969570 In\n0.285701 0.765394 0.388917 Si\n0.214299 0.265394 0.888917 Si\n0.714299 0.234606 0.611083 Si\n0.785701 0.734606 0.111083 Si\n0.564192 0.712044 0.466281 Si\n0.935808 0.212044 0.966281 Si\n0.435808 0.287956 0.533719 Si\n0.064192 0.787956 0.033719 Si\n0.294197 0.870989 0.701009 Si\n0.205803 0.370989 0.201009 Si\n0.705803 0.129011 0.298991 Si\n0.794197 0.629011 0.798991 Si\n0.408199 0.045594 0.276425 Si\n0.091801 0.545594 0.776425 Si\n0.591801 0.954406 0.723575 Si\n0.908199 0.454406 0.223575 Si\n0.519730 0.816361 0.391762 H\n0.980270 0.316361 0.891762 H\n0.480270 0.183639 0.608238 H\n0.019730 0.683639 0.108238 H\n0.092612 0.671587 0.395970 H\n0.407388 0.171587 0.895970 H\n0.907388 0.328413 0.604030 H\n0.592612 0.828413 0.104030 H\n0.167778 0.695200 0.489889 H\n0.332222 0.195200 0.989889 H\n0.832222 0.304800 0.510111 H\n0.667778 0.804800 0.010111 H\n0.251889 0.627183 0.416935 H\n0.248111 0.127183 0.916935 H\n0.748111 0.372817 0.583065 H\n0.751889 0.872817 0.083065 H\n0.211230 0.721606 0.253141 H\n0.288770 0.221606 0.753141 H\n0.788770 0.278394 0.746859 H\n0.711230 0.778394 0.246859 H\n0.365514 0.670394 0.271082 H\n0.134486 0.170394 0.771082 H\n0.634486 0.329606 0.728918 H\n0.865514 0.829606 0.228918 H\n0.375959 0.768886 0.252127 H\n0.124041 0.268886 0.752127 H\n0.624041 0.231114 0.747873 H\n0.875959 0.731114 0.247873 H\n0.122719 0.869437 0.453348 H\n0.377281 0.369437 0.953348 H\n0.877281 0.130563 0.546652 H\n0.622719 0.630563 0.046652 H\n0.063497 0.827022 0.358955 H\n0.436503 0.327022 0.858955 H\n0.936503 0.172978 0.641045 H\n0.563497 0.672978 0.141045 H\n0.200168 0.897910 0.368351 H\n0.299832 0.397910 0.868351 H\n0.799832 0.102090 0.631649 H\n0.700168 0.602090 0.131649 H\n0.390666 0.635615 0.534571 H\n0.109334 0.135615 0.034571 H\n0.609334 0.364385 0.465429 H\n0.890666 0.864385 0.965429 H\n0.471816 0.710233 0.601731 H\n0.028184 0.210233 0.101731 H\n0.528184 0.289767 0.398269 H\n0.971816 0.789767 0.898269 H\n0.564714 0.623041 0.565608 H\n0.935286 0.123041 0.065608 H\n0.435286 0.376959 0.434392 H\n0.064714 0.876959 0.934392 H\n0.486400 0.603340 0.358569 H\n0.013600 0.103340 0.858569 H\n0.513600 0.396660 0.641431 H\n0.986400 0.896660 0.141431 H\n0.646096 0.581868 0.401987 H\n0.853904 0.081868 0.901987 H\n0.353904 0.418132 0.598013 H\n0.146096 0.918132 0.098013 H\n0.643367 0.648261 0.333055 H\n0.856633 0.148261 0.833055 H\n0.356633 0.351739 0.666945 H\n0.143367 0.851739 0.166945 H\n0.750814 0.793929 0.543247 H\n0.749186 0.293929 0.043247 H\n0.249186 0.206071 0.456753 H\n0.250814 0.706071 0.956753 H\n0.805661 0.761284 0.445465 H\n0.694339 0.261284 0.945465 H\n0.194339 0.238716 0.554535 H\n0.305661 0.738716 0.054535 H\n0.803403 0.694941 0.514589 H\n0.696597 0.194941 0.014589 H\n0.196597 0.305059 0.485411 H\n0.303403 0.805059 0.985411 H\n0.480454 0.168698 0.349426 H\n0.019546 0.668698 0.849426 H\n0.519546 0.831302 0.650574 H\n0.980454 0.331302 0.150574 H\n0.275185 0.980796 0.814859 H\n0.224815 0.480796 0.314859 H\n0.724815 0.019204 0.185141 H\n0.775185 0.519204 0.685141 H\n0.109888 0.941866 0.783068 H\n0.390112 0.441866 0.283068 H\n0.890112 0.058134 0.216932 H\n0.609888 0.558134 0.716932 H\n0.196143 0.007823 0.729744 H\n0.303857 0.507823 0.229744 H\n0.803857 0.992177 0.270256 H\n0.696143 0.492177 0.770256 H\n0.206198 0.780816 0.788056 H\n0.293802 0.280816 0.288056 H\n0.793802 0.219184 0.211944 H\n0.706198 0.719184 0.711944 H\n0.380077 0.807964 0.815109 H\n0.119923 0.307964 0.315109 H\n0.619923 0.192036 0.184891 H\n0.880077 0.692036 0.684891 H\n0.347524 0.736107 0.731680 H\n0.152476 0.236107 0.231680 H\n0.652476 0.263893 0.268320 H\n0.847524 0.763893 0.768320 H\n0.200242 0.782122 0.585323 H\n0.299758 0.282122 0.085323 H\n0.799758 0.217878 0.414677 H\n0.700242 0.717878 0.914677 H\n0.130814 0.878578 0.588926 H\n0.369186 0.378578 0.088926 H\n0.869186 0.121422 0.411074 H\n0.630814 0.621422 0.911074 H\n0.065498 0.816134 0.652779 H\n0.434502 0.316134 0.152779 H\n0.934502 0.183866 0.347221 H\n0.565498 0.683866 0.847221 H\n0.458305 0.921811 0.327763 H\n0.041695 0.421811 0.827763 H\n0.541695 0.078189 0.672237 H\n0.958305 0.578189 0.172237 H\n0.560671 0.927161 0.243030 H\n0.939329 0.427161 0.743030 H\n0.439329 0.072839 0.756970 H\n0.060671 0.572839 0.256970 H\n0.380847 0.901990 0.233315 H\n0.119153 0.401990 0.733315 H\n0.619153 0.098010 0.766685 H\n0.880847 0.598010 0.266685 H\n0.499250 0.054810 0.140270 H\n0.000750 0.554810 0.640270 H\n0.500750 0.945190 0.859730 H\n0.999250 0.445190 0.359730 H\n0.380226 0.132446 0.172263 H\n0.119774 0.632446 0.672263 H\n0.619774 0.867554 0.827737 H\n0.880226 0.367554 0.327737 H\n0.317784 0.035783 0.141801 H\n0.182216 0.535783 0.641801 H\n0.682216 0.964217 0.858199 H\n0.817784 0.464217 0.358199 H\n0.153336 0.021673 0.272413 H\n0.346664 0.521673 0.772413 H\n0.846664 0.978327 0.727587 H\n0.653336 0.478327 0.227587 H\n0.189056 0.119601 0.317411 H\n0.310944 0.619601 0.817411 H\n0.810944 0.880399 0.682589 H\n0.689056 0.380399 0.182589 H\n0.211946 0.039990 0.371061 H\n0.288054 0.539990 0.871061 H\n0.788054 0.960010 0.628939 H\n0.711946 0.460010 0.128939 H\n0.168054 0.060274 0.504499 H\n0.331946 0.560274 0.004499 H\n0.831946 0.939726 0.495501 H\n0.668054 0.439726 0.995501 H\n0.261632 0.093882 0.592744 H\n0.238368 0.593882 0.092744 H\n0.738368 0.906118 0.407256 H\n0.761632 0.406118 0.907256 H\n0.194169 0.996676 0.574991 H\n0.305831 0.496676 0.074991 H\n0.805831 0.003324 0.425009 H\n0.694169 0.503324 0.925009 H\n0.243337 0.043039 0.546919 C\n0.256663 0.543039 0.046919 C\n0.756663 0.956961 0.453081 C\n0.743337 0.456961 0.953081 C\n0.457688 0.796658 0.439065 C\n0.042312 0.296658 0.939065 C\n0.542312 0.203342 0.560935 C\n0.957688 0.703342 0.060935 C\n0.192385 0.682292 0.427431 C\n0.307615 0.182292 0.927431 C\n0.807615 0.317708 0.572569 C\n0.692385 0.817708 0.072569 C\n0.314402 0.728140 0.281361 C\n0.185598 0.228140 0.781361 C\n0.685598 0.271860 0.718639 C\n0.814402 0.771860 0.218639 C\n0.156457 0.848276 0.393236 C\n0.343543 0.348276 0.893236 C\n0.843543 0.151724 0.606764 C\n0.656457 0.651724 0.106764 C\n0.489394 0.666308 0.549655 C\n0.010606 0.166308 0.049655 C\n0.510606 0.333692 0.450345 C\n0.989394 0.833692 0.950345 C\n0.585293 0.629132 0.381566 C\n0.914707 0.129132 0.881566 C\n0.414707 0.370868 0.618434 C\n0.085293 0.870868 0.118434 C\n0.747509 0.744392 0.495019 C\n0.752491 0.244392 0.995019 C\n0.252491 0.255608 0.504981 C\n0.247509 0.755608 0.004981 C\n0.530618 0.110060 0.343085 C\n0.969382 0.610060 0.843085 C\n0.469382 0.889940 0.656915 C\n0.030618 0.389940 0.156915 C\n0.212741 0.959081 0.762979 C\n0.287259 0.459081 0.262979 C\n0.787259 0.040919 0.237021 C\n0.712741 0.540919 0.737021 C\n0.310267 0.791746 0.765060 C\n0.189733 0.291746 0.265060 C\n0.689733 0.208254 0.234940 C\n0.810267 0.708254 0.734940 C\n0.160868 0.833548 0.624482 C\n0.339132 0.333548 0.124482 C\n0.839132 0.166452 0.375518 C\n0.660868 0.666452 0.875518 C\n0.457314 0.939008 0.269169 C\n0.042686 0.439008 0.769169 C\n0.542686 0.060992 0.730831 C\n0.957314 0.560992 0.230831 C\n0.402994 0.069931 0.173350 C\n0.097006 0.569931 0.673350 C\n0.597006 0.930069 0.826650 C\n0.902994 0.430069 0.326650 C\n0.223543 0.058157 0.313316 C\n0.276457 0.558157 0.813316 C\n0.776457 0.941843 0.686684 C\n0.723543 0.441843 0.186684 C\n0.369521 0.015123 0.508837 O\n0.130479 0.515123 0.008837 O\n0.630479 0.984877 0.491163 O\n0.869521 0.484877 0.991163 O\n",
            "nsites": 248,
            "nelements": 5,
            "elements": [
                "In",
                "Si",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-In-O-Si",
            "density": 1.0925210048467735,
            "density_atomic": 0.08779114396484557,
            "volume": 2824.886301735711,
            "volume_molar": 6.859622153245276,
            "formula_full": "In4 Si16 H164 C60 O4",
            "formula_reduced": "InSi4H41C15O",
            "formula_anonymous": "ABC4D15E41",
            "energy": -1283.16206699,
            "energy_per_atom": -5.174040592701613,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1280.41406699,
            "band_gap": 3.5755,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0149479,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.536000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-532105",
            "created_at": "2022-09-04T14:40:59.439681Z",
            "structure_string": "Si54 O108\n1.0\n8.647324 -14.977604 0.000000\n8.647324 14.977604 0.000000\n0.000000 0.000000 12.896127\nSi O\n54 108\ndirect\n0.000000 0.816888 0.379039 Si\n0.000000 0.816888 0.620961 Si\n0.000000 0.813769 0.000000 Si\n0.000000 0.697356 0.196566 Si\n0.000000 0.697356 0.803434 Si\n0.153749 0.666354 0.121738 Si\n0.153749 0.666354 0.878262 Si\n0.000000 0.302644 0.196566 Si\n0.000000 0.302644 0.803434 Si\n0.000000 0.186231 0.000000 Si\n0.000000 0.183112 0.620961 Si\n0.000000 0.183112 0.379039 Si\n0.153749 0.487395 0.121738 Si\n0.153749 0.487395 0.878262 Si\n0.333646 0.846251 0.121738 Si\n0.333646 0.846251 0.878262 Si\n0.512605 0.846251 0.121738 Si\n0.512605 0.846251 0.878262 Si\n0.333646 0.487395 0.121738 Si\n0.333646 0.487395 0.878262 Si\n0.183112 0.183112 0.620961 Si\n0.183112 0.183112 0.379039 Si\n0.186231 0.186231 0.000000 Si\n0.302644 0.302644 0.196566 Si\n0.302644 0.302644 0.803434 Si\n0.512605 0.666354 0.121738 Si\n0.512605 0.666354 0.878262 Si\n0.183112 0.000000 0.620961 Si\n0.183112 0.000000 0.379039 Si\n0.186231 0.000000 0.000000 Si\n0.302644 0.000000 0.196566 Si\n0.302644 0.000000 0.803434 Si\n0.487395 0.333646 0.121738 Si\n0.487395 0.333646 0.878262 Si\n0.697356 0.697356 0.196566 Si\n0.697356 0.697356 0.803434 Si\n0.813769 0.813769 0.000000 Si\n0.816888 0.816888 0.379039 Si\n0.816888 0.816888 0.620961 Si\n0.666354 0.512605 0.121738 Si\n0.666354 0.512605 0.878262 Si\n0.487395 0.153749 0.121738 Si\n0.487395 0.153749 0.878262 Si\n0.666354 0.153749 0.121738 Si\n0.666354 0.153749 0.878262 Si\n0.846251 0.512605 0.121738 Si\n0.846251 0.512605 0.878262 Si\n0.846251 0.333646 0.121738 Si\n0.846251 0.333646 0.878262 Si\n0.697356 0.000000 0.803434 Si\n0.697356 0.000000 0.196566 Si\n0.813769 0.000000 0.000000 Si\n0.816888 0.000000 0.620961 Si\n0.816888 0.000000 0.379039 Si\n0.087714 0.912286 0.000000 O\n0.174912 0.087456 0.647207 O\n0.087456 0.912544 0.352793 O\n0.912544 0.825088 0.352793 O\n0.912286 0.824572 0.000000 O\n0.570392 0.140784 0.156902 O\n0.429608 0.859216 0.843098 O\n0.087456 0.174912 0.647207 O\n0.663542 0.126575 0.000000 O\n0.536967 0.873425 0.000000 O\n0.742400 0.257600 0.860482 O\n0.742400 0.257600 0.139518 O\n0.484800 0.742400 0.139518 O\n0.484800 0.742400 0.860482 O\n0.175428 0.087714 0.000000 O\n0.087456 0.912544 0.647207 O\n0.174912 0.087456 0.352793 O\n0.688637 0.089225 0.190927 O\n0.688637 0.089225 0.809073 O\n0.599413 0.910775 0.190927 O\n0.599413 0.910775 0.809073 O\n0.859216 0.429608 0.843098 O\n0.429608 0.570392 0.156902 O\n0.873425 0.336458 0.000000 O\n0.536967 0.663542 0.000000 O\n0.739748 0.000000 0.308449 O\n0.739748 0.000000 0.691551 O\n0.910775 0.311363 0.190927 O\n0.910775 0.311363 0.809073 O\n0.599413 0.688637 0.190927 O\n0.599413 0.688637 0.809073 O\n0.760525 0.000000 0.103501 O\n0.760525 0.000000 0.896499 O\n0.790516 0.000000 0.500000 O\n0.140784 0.570392 0.156902 O\n0.570392 0.429608 0.843098 O\n0.000000 0.260252 0.308449 O\n0.739748 0.739748 0.308449 O\n0.000000 0.260252 0.691551 O\n0.739748 0.739748 0.691551 O\n0.000000 0.239475 0.103501 O\n0.000000 0.239475 0.896499 O\n0.760525 0.760525 0.103501 O\n0.760525 0.760525 0.896499 O\n0.089225 0.400587 0.190927 O\n0.089225 0.400587 0.809073 O\n0.688637 0.599413 0.190927 O\n0.688637 0.599413 0.809073 O\n0.126575 0.463033 0.000000 O\n0.663542 0.536967 0.000000 O\n0.000000 0.209484 0.500000 O\n0.790516 0.790516 0.500000 O\n0.257600 0.515200 0.860482 O\n0.257600 0.515200 0.139518 O\n0.742400 0.484800 0.860482 O\n0.742400 0.484800 0.139518 O\n0.209484 0.209484 0.500000 O\n0.000000 0.790516 0.500000 O\n0.336458 0.463033 0.000000 O\n0.873425 0.536967 0.000000 O\n0.311363 0.400587 0.190927 O\n0.311363 0.400587 0.809073 O\n0.910775 0.599413 0.190927 O\n0.910775 0.599413 0.809073 O\n0.239475 0.239475 0.103501 O\n0.239475 0.239475 0.896499 O\n0.000000 0.760525 0.103501 O\n0.000000 0.760525 0.896499 O\n0.260252 0.260252 0.308449 O\n0.000000 0.739748 0.308449 O\n0.260252 0.260252 0.691551 O\n0.000000 0.739748 0.691551 O\n0.429608 0.570392 0.843098 O\n0.859216 0.429608 0.156902 O\n0.209484 0.000000 0.500000 O\n0.239475 0.000000 0.103501 O\n0.239475 0.000000 0.896499 O\n0.400587 0.311363 0.190927 O\n0.400587 0.311363 0.809073 O\n0.089225 0.688637 0.190927 O\n0.089225 0.688637 0.809073 O\n0.260252 0.000000 0.308449 O\n0.260252 0.000000 0.691551 O\n0.463033 0.336458 0.000000 O\n0.126575 0.663542 0.000000 O\n0.570392 0.429608 0.156902 O\n0.140784 0.570392 0.843098 O\n0.400587 0.089225 0.190927 O\n0.400587 0.089225 0.809073 O\n0.311363 0.910775 0.190927 O\n0.311363 0.910775 0.809073 O\n0.825088 0.912544 0.352793 O\n0.912544 0.087456 0.647207 O\n0.824572 0.912286 0.000000 O\n0.515200 0.257600 0.139518 O\n0.515200 0.257600 0.860482 O\n0.257600 0.742400 0.860482 O\n0.257600 0.742400 0.139518 O\n0.463033 0.126575 0.000000 O\n0.336458 0.873425 0.000000 O\n0.912544 0.825088 0.647207 O\n0.570392 0.140784 0.843098 O\n0.429608 0.859216 0.156902 O\n0.087714 0.175428 0.000000 O\n0.087456 0.174912 0.352793 O\n0.825088 0.912544 0.647207 O\n0.912544 0.087456 0.352793 O\n0.912286 0.087714 0.000000 O\n",
            "nsites": 162,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.6128370471833102,
            "density_atomic": 0.0484955224131953,
            "volume": 3340.514586474914,
            "volume_molar": 12.417931512706867,
            "formula_full": "Si54 O108",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -1354.7346512199997,
            "energy_per_atom": -8.362559575432098,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1280.53865122,
            "band_gap": 5.559,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000734,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.172000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-530546",
            "created_at": "2022-09-04T14:42:51.913102Z",
            "structure_string": "Si54 O108\n1.0\n8.588615 -14.875918 0.000000\n8.588615 14.875918 0.000000\n0.000000 0.000000 12.881054\nSi O\n54 108\ndirect\n0.179147 0.984567 0.000000 Si\n0.180055 0.990582 0.379560 Si\n0.180055 0.990582 0.620440 Si\n0.302310 0.998814 0.195047 Si\n0.302310 0.998814 0.804953 Si\n0.162962 0.684088 0.123395 Si\n0.162962 0.684088 0.876605 Si\n0.001186 0.303496 0.195047 Si\n0.001186 0.303496 0.804953 Si\n0.144722 0.496745 0.123442 Si\n0.144722 0.496745 0.876558 Si\n0.009418 0.189474 0.620440 Si\n0.009418 0.189474 0.379560 Si\n0.015433 0.194580 0.000000 Si\n0.352023 0.855278 0.876558 Si\n0.352023 0.855278 0.123442 Si\n0.315912 0.478875 0.123395 Si\n0.315912 0.478875 0.876605 Si\n0.189474 0.180055 0.379560 Si\n0.189474 0.180055 0.620440 Si\n0.194580 0.179147 0.000000 Si\n0.521125 0.837038 0.876605 Si\n0.521125 0.837038 0.123395 Si\n0.303496 0.302310 0.195047 Si\n0.303496 0.302310 0.804953 Si\n0.503255 0.647977 0.123442 Si\n0.503255 0.647977 0.876558 Si\n0.496745 0.352023 0.123442 Si\n0.496745 0.352023 0.876558 Si\n0.696504 0.697690 0.195047 Si\n0.696504 0.697690 0.804953 Si\n0.478875 0.162962 0.876605 Si\n0.478875 0.162962 0.123395 Si\n0.805420 0.820853 0.000000 Si\n0.810526 0.819945 0.379560 Si\n0.810526 0.819945 0.620440 Si\n0.684088 0.521125 0.876605 Si\n0.684088 0.521125 0.123395 Si\n0.647977 0.144722 0.123442 Si\n0.647977 0.144722 0.876558 Si\n0.984567 0.805420 0.000000 Si\n0.990582 0.810526 0.379560 Si\n0.990582 0.810526 0.620440 Si\n0.855278 0.503255 0.123442 Si\n0.855278 0.503255 0.876558 Si\n0.998814 0.696504 0.195047 Si\n0.998814 0.696504 0.804953 Si\n0.837038 0.315912 0.123395 Si\n0.837038 0.315912 0.876605 Si\n0.697690 0.001186 0.804953 Si\n0.697690 0.001186 0.195047 Si\n0.819945 0.009418 0.620440 Si\n0.819945 0.009418 0.379560 Si\n0.820853 0.015433 0.000000 Si\n0.410840 0.339932 0.811488 O\n0.410840 0.339932 0.188512 O\n0.070908 0.410840 0.811488 O\n0.070908 0.410840 0.188512 O\n0.444340 0.859634 0.838672 O\n0.444340 0.859634 0.161328 O\n0.642720 0.121442 0.000000 O\n0.541459 0.859029 0.000000 O\n0.731524 0.245396 0.145508 O\n0.731524 0.245396 0.854492 O\n0.486128 0.731524 0.145508 O\n0.486128 0.731524 0.854492 O\n0.859634 0.415294 0.161328 O\n0.859634 0.415294 0.838672 O\n0.613935 0.898422 0.186756 O\n0.613935 0.898422 0.813244 O\n0.521278 0.642720 0.000000 O\n0.859029 0.317570 0.000000 O\n0.745195 0.013500 0.307173 O\n0.745195 0.013500 0.692827 O\n0.770259 0.021801 0.896770 O\n0.770259 0.021801 0.103230 O\n0.898422 0.284487 0.186756 O\n0.898422 0.284487 0.813244 O\n0.792449 0.011167 0.500000 O\n0.731695 0.745195 0.692827 O\n0.731695 0.745195 0.307173 O\n0.823936 0.918686 0.645000 O\n0.823936 0.918686 0.355000 O\n0.748458 0.770259 0.896770 O\n0.748458 0.770259 0.103230 O\n0.584706 0.444340 0.838672 O\n0.584706 0.444340 0.161328 O\n0.824090 0.922958 0.000000 O\n0.918686 0.094751 0.645000 O\n0.918686 0.094751 0.355000 O\n0.922958 0.098867 0.000000 O\n0.339932 0.929092 0.811488 O\n0.339932 0.929092 0.188512 O\n0.781281 0.792449 0.500000 O\n0.013500 0.268305 0.692827 O\n0.013500 0.268305 0.307173 O\n0.121442 0.478722 0.000000 O\n0.021801 0.251542 0.103230 O\n0.021801 0.251542 0.896770 O\n0.011167 0.218719 0.500000 O\n0.715513 0.613935 0.813244 O\n0.715513 0.613935 0.186756 O\n0.682430 0.541459 0.000000 O\n0.245396 0.513872 0.145508 O\n0.245396 0.513872 0.854492 O\n0.901133 0.824090 0.000000 O\n0.905249 0.823936 0.645000 O\n0.905249 0.823936 0.355000 O\n0.094751 0.176064 0.645000 O\n0.094751 0.176064 0.355000 O\n0.098867 0.175910 0.000000 O\n0.754604 0.486128 0.145508 O\n0.754604 0.486128 0.854492 O\n0.317570 0.458541 0.000000 O\n0.284487 0.386065 0.813244 O\n0.284487 0.386065 0.186756 O\n0.988833 0.781281 0.500000 O\n0.978199 0.748458 0.103230 O\n0.978199 0.748458 0.896770 O\n0.878558 0.521278 0.000000 O\n0.986500 0.731695 0.692827 O\n0.986500 0.731695 0.307173 O\n0.218719 0.207551 0.500000 O\n0.660068 0.070908 0.811488 O\n0.660068 0.070908 0.188512 O\n0.077042 0.901133 0.000000 O\n0.081314 0.905249 0.645000 O\n0.081314 0.905249 0.355000 O\n0.175910 0.077042 0.000000 O\n0.415294 0.555660 0.838672 O\n0.415294 0.555660 0.161328 O\n0.251542 0.229741 0.896770 O\n0.251542 0.229741 0.103230 O\n0.176064 0.081314 0.645000 O\n0.176064 0.081314 0.355000 O\n0.268305 0.254805 0.692827 O\n0.268305 0.254805 0.307173 O\n0.207551 0.988833 0.500000 O\n0.101578 0.715513 0.186756 O\n0.101578 0.715513 0.813244 O\n0.229741 0.978199 0.896770 O\n0.229741 0.978199 0.103230 O\n0.254805 0.986500 0.307173 O\n0.254805 0.986500 0.692827 O\n0.140971 0.682430 0.000000 O\n0.478722 0.357280 0.000000 O\n0.386065 0.101578 0.186756 O\n0.386065 0.101578 0.813244 O\n0.140366 0.584706 0.161328 O\n0.140366 0.584706 0.838672 O\n0.513872 0.268476 0.145508 O\n0.513872 0.268476 0.854492 O\n0.268476 0.754604 0.145508 O\n0.268476 0.754604 0.854492 O\n0.458541 0.140971 0.000000 O\n0.357280 0.878558 0.000000 O\n0.555660 0.140366 0.838672 O\n0.555660 0.140366 0.161328 O\n0.929092 0.589160 0.811488 O\n0.929092 0.589160 0.188512 O\n0.589160 0.660068 0.811488 O\n0.589160 0.660068 0.188512 O\n",
            "nsites": 162,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.6368751505638435,
            "density_atomic": 0.049218311106136864,
            "volume": 3291.457922045618,
            "volume_molar": 12.23556969887396,
            "formula_full": "Si54 O108",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -1354.7552693000002,
            "energy_per_atom": -8.362686847530865,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1280.5592693,
            "band_gap": 5.5612,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0010975,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:03.472000Z",
            "spacegroup": 175
        },
        {
            "id": "mp-679997",
            "created_at": "2022-09-04T14:46:53.229775Z",
            "structure_string": "Cs4 Ag8 B60 O96\n1.0\n5.192398 0.000000 0.000000\n0.000000 17.991860 0.000000\n0.000000 0.000000 22.428537\nCs Ag B O\n4 8 60 96\ndirect\n0.531960 0.673943 0.919501 Cs\n0.468040 0.173943 0.580499 Cs\n0.468040 0.826057 0.419501 Cs\n0.531960 0.326057 0.080499 Cs\n0.952452 0.668415 0.183297 Ag\n0.555280 0.951954 0.119547 Ag\n0.047548 0.168415 0.316703 Ag\n0.444720 0.451954 0.380453 Ag\n0.444720 0.548046 0.619547 Ag\n0.952452 0.331585 0.816703 Ag\n0.047548 0.831585 0.683297 Ag\n0.555280 0.048046 0.880453 Ag\n0.266546 0.711182 0.579492 B\n0.421422 0.474116 0.804232 B\n0.807949 0.500000 0.000000 B\n0.135414 0.433065 0.233872 B\n0.864586 0.066935 0.733872 B\n0.734286 0.460596 0.897064 B\n0.135414 0.566935 0.766128 B\n0.143407 0.556107 0.282929 B\n0.826563 0.673942 0.750694 B\n0.515948 0.738689 0.271036 B\n0.733454 0.788818 0.079492 B\n0.790468 0.882364 0.882842 B\n0.438127 0.102978 0.038347 B\n0.393729 0.698030 0.080033 B\n0.790468 0.117636 0.117158 B\n0.421422 0.525884 0.195768 B\n0.173437 0.826058 0.250694 B\n0.854797 0.657545 0.322563 B\n0.856593 0.056107 0.217071 B\n0.266546 0.288818 0.420508 B\n0.145203 0.842455 0.822563 B\n0.192051 0.000000 0.500000 B\n0.826563 0.326058 0.249306 B\n0.856593 0.943893 0.782929 B\n0.484052 0.238689 0.228964 B\n0.085843 0.128887 0.971988 B\n0.558021 0.716620 0.667257 B\n0.561873 0.397022 0.538347 B\n0.143407 0.443893 0.717071 B\n0.085843 0.871113 0.028012 B\n0.209532 0.617636 0.382842 B\n0.914157 0.371113 0.471988 B\n0.561873 0.602978 0.461653 B\n0.927977 0.902611 0.545764 B\n0.927977 0.097389 0.454236 B\n0.606271 0.801970 0.580033 B\n0.393729 0.301970 0.919967 B\n0.914157 0.628887 0.528012 B\n0.145203 0.157545 0.177437 B\n0.438127 0.897022 0.961653 B\n0.864586 0.933065 0.266128 B\n0.265714 0.960596 0.602936 B\n0.072023 0.402611 0.954236 B\n0.578578 0.974116 0.695768 B\n0.441979 0.216620 0.832743 B\n0.169250 0.000000 0.000000 B\n0.734286 0.539404 0.102936 B\n0.173437 0.173942 0.749306 B\n0.484052 0.761311 0.771036 B\n0.578578 0.025884 0.304232 B\n0.606271 0.198030 0.419967 B\n0.733454 0.211182 0.920508 B\n0.830750 0.500000 0.500000 B\n0.265714 0.039404 0.397064 B\n0.441979 0.783380 0.167257 B\n0.854797 0.342455 0.677437 B\n0.072023 0.597389 0.045764 B\n0.209532 0.382364 0.617158 B\n0.515948 0.261311 0.728964 B\n0.558021 0.283380 0.332743 B\n0.365648 0.221087 0.440179 O\n0.675173 0.076201 0.264952 O\n0.337919 0.452159 0.195259 O\n0.921956 0.608528 0.279157 O\n0.600132 0.255865 0.786406 O\n0.620678 0.824792 0.127191 O\n0.662081 0.047841 0.695259 O\n0.298192 0.725678 0.132084 O\n0.653934 0.467374 0.546970 O\n0.724327 0.064538 0.157844 O\n0.349946 0.793907 0.816986 O\n0.650054 0.706093 0.316986 O\n0.269749 0.351230 0.957232 O\n0.078044 0.891472 0.779157 O\n0.644255 0.866111 0.932152 O\n0.662081 0.952159 0.304741 O\n0.324827 0.576201 0.235048 O\n0.346066 0.967374 0.953030 O\n0.701808 0.774322 0.632084 O\n0.023950 0.635027 0.777352 O\n0.976050 0.864973 0.277352 O\n0.730251 0.148770 0.457232 O\n0.675173 0.923799 0.735048 O\n0.354637 0.002579 0.445425 O\n0.677864 0.649632 0.503029 O\n0.055597 0.686518 0.549853 O\n0.701808 0.225678 0.367916 O\n0.025024 0.932653 0.495337 O\n0.989552 0.338846 0.624000 O\n0.051131 0.520372 0.722897 O\n0.644255 0.133889 0.067848 O\n0.287857 0.773367 0.288317 O\n0.023950 0.364973 0.222648 O\n0.730251 0.851230 0.542768 O\n0.650054 0.293907 0.683014 O\n0.976050 0.135027 0.722648 O\n0.944403 0.813482 0.049853 O\n0.275673 0.435462 0.657844 O\n0.275673 0.564538 0.342156 O\n0.677864 0.350368 0.496971 O\n0.974976 0.432653 0.004663 O\n0.379322 0.675208 0.627191 O\n0.007211 0.056908 0.972219 O\n0.992789 0.443092 0.472219 O\n0.365648 0.778913 0.559821 O\n0.607289 0.548772 0.156027 O\n0.354637 0.997421 0.554575 O\n0.269749 0.648770 0.042768 O\n0.948869 0.979628 0.222897 O\n0.712143 0.273367 0.211683 O\n0.379322 0.324792 0.372809 O\n0.028105 0.922407 0.601347 O\n0.974976 0.567347 0.995337 O\n0.010448 0.161154 0.124000 O\n0.322136 0.850368 0.003029 O\n0.944403 0.186518 0.950147 O\n0.634352 0.721087 0.059821 O\n0.600132 0.744135 0.213594 O\n0.349946 0.206093 0.183014 O\n0.355745 0.366111 0.567848 O\n0.653934 0.532626 0.453030 O\n0.740341 0.664808 0.693853 O\n0.028105 0.077593 0.398653 O\n0.971896 0.577593 0.101347 O\n0.007211 0.943092 0.027781 O\n0.259659 0.164808 0.806147 O\n0.921956 0.391472 0.720843 O\n0.992789 0.556908 0.527781 O\n0.724327 0.935462 0.842156 O\n0.399868 0.244135 0.286406 O\n0.355745 0.633889 0.432152 O\n0.645363 0.502579 0.054575 O\n0.010448 0.838846 0.876000 O\n0.298192 0.274322 0.867916 O\n0.324827 0.423799 0.764952 O\n0.055597 0.313482 0.450147 O\n0.287857 0.226633 0.711683 O\n0.607289 0.451228 0.843973 O\n0.948869 0.020372 0.777103 O\n0.989552 0.661154 0.376000 O\n0.051131 0.479628 0.277103 O\n0.620678 0.175208 0.872809 O\n0.259659 0.835192 0.193853 O\n0.645363 0.497421 0.945425 O\n0.337919 0.547841 0.804741 O\n0.399868 0.755865 0.713594 O\n0.634352 0.278913 0.940179 O\n0.078044 0.108528 0.220843 O\n0.322136 0.149632 0.996971 O\n0.712143 0.726633 0.788317 O\n0.971896 0.422407 0.898653 O\n0.740341 0.335192 0.306147 O\n0.392711 0.951228 0.656027 O\n0.346066 0.032626 0.046970 O\n0.025024 0.067347 0.504663 O\n0.392711 0.048772 0.343973 O\n",
            "nsites": 168,
            "nelements": 4,
            "elements": [
                "Cs",
                "Ag",
                "B",
                "O"
            ],
            "chemical_system": "Ag-B-Cs-O",
            "density": 2.8365237088664337,
            "density_atomic": 0.0801796763670835,
            "volume": 2095.294064681081,
            "volume_molar": 7.510807018513105,
            "formula_full": "Cs4 Ag8 B60 O96",
            "formula_reduced": "CsAg2(B5O8)3",
            "formula_anonymous": "AB2C15D24",
            "energy": -1348.62398285,
            "energy_per_atom": -8.027523707440476,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1282.67198285,
            "band_gap": 3.5033000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0416874,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.814000Z",
            "spacegroup": 18
        }
    ]
}