GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10147
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=is_theoretical&page=10148",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10146",
    "results": [
        {
            "id": "mp-1179643",
            "created_at": "2022-09-04T14:40:22.936907Z",
            "structure_string": "S4\n1.0\n5.301813 0.000000 0.000000\n0.000000 3.724122 0.000000\n0.000000 0.286364 7.972537\nS\n4\ndirect\n0.340245 0.525169 0.254467 S\n0.159755 0.025169 0.254467 S\n0.659755 0.474831 0.745533 S\n0.840245 0.974831 0.745533 S\n",
            "nsites": 4,
            "nelements": 1,
            "elements": [
                "S"
            ],
            "chemical_system": "S",
            "density": 1.3529927957937211,
            "density_atomic": 0.025410613024642037,
            "volume": 157.41454155871742,
            "volume_molar": 23.69931317343665,
            "formula_full": "S4",
            "formula_reduced": "S",
            "formula_anonymous": "A",
            "energy": -15.15217133,
            "energy_per_atom": -3.7880428325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -15.15217133,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0127636,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.345000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1205647",
            "created_at": "2022-09-04T14:40:22.936993Z",
            "structure_string": "La4 Sc2 Si4\n1.0\n7.462960 0.000000 0.000000\n0.000000 7.462960 0.000000\n0.000000 0.000000 4.554179\nLa Sc Si\n4 2 4\ndirect\n0.678478 0.178478 0.500000 La\n0.321522 0.821522 0.500000 La\n0.178478 0.321522 0.500000 La\n0.821522 0.678478 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.116750 0.616750 0.000000 Si\n0.883250 0.383250 0.000000 Si\n0.616750 0.883250 0.000000 Si\n0.383250 0.116750 0.000000 Si\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "La",
                "Sc",
                "Si"
            ],
            "chemical_system": "La-Sc-Si",
            "density": 4.96152013284843,
            "density_atomic": 0.03942463450960908,
            "volume": 253.64851505630753,
            "volume_molar": 15.275070612340633,
            "formula_full": "La4 Sc2 Si4",
            "formula_reduced": "La2ScSi2",
            "formula_anonymous": "AB2C2",
            "energy": -60.71282531,
            "energy_per_atom": -6.071282531,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.99682531,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0104504,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.191000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1075132",
            "created_at": "2022-09-04T14:40:22.940856Z",
            "structure_string": "Mg6 Si8\n1.0\n5.759722 0.000000 0.000000\n-2.109253 6.605178 0.000000\n-0.144846 -3.089391 6.507146\nMg Si\n6 8\ndirect\n0.462748 0.544303 0.388889 Mg\n0.853924 0.978773 0.510788 Mg\n0.319085 0.219501 0.889798 Mg\n0.835004 0.259995 0.958453 Mg\n0.975943 0.569358 0.428287 Mg\n0.079794 0.091706 0.212979 Mg\n0.390475 0.835161 0.849899 Si\n0.665098 0.379014 0.660773 Si\n0.574832 0.145802 0.255410 Si\n0.765343 0.661670 0.076469 Si\n0.803908 0.806293 0.806795 Si\n0.367123 0.946635 0.461651 Si\n0.150846 0.413096 0.671957 Si\n0.256105 0.648743 0.074542 Si\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Mg",
                "Si"
            ],
            "chemical_system": "Mg-Si",
            "density": 2.4852902789524505,
            "density_atomic": 0.05655245160041705,
            "volume": 247.55779110903754,
            "volume_molar": 10.648770459237861,
            "formula_full": "Mg6 Si8",
            "formula_reduced": "Mg3Si4",
            "formula_anonymous": "A3B4",
            "energy": -49.88245715,
            "energy_per_atom": -3.5630326535714287,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -50.45045715,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0064263,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.948000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1048236",
            "created_at": "2022-09-04T14:40:22.943610Z",
            "structure_string": "Ba2 Al1 Mo3 O8\n1.0\n2.942573 -2.997330 0.000000\n2.942573 2.997330 0.000000\n0.000000 0.000000 11.705836\nBa Al Mo O\n2 1 3 8\ndirect\n0.506158 0.493842 0.177620 Ba\n0.506158 0.493842 0.822380 Ba\n0.644508 0.355492 0.500000 Al\n0.997707 0.002293 0.362748 Mo\n0.002277 0.997723 0.000000 Mo\n0.997707 0.002293 0.637252 Mo\n0.913535 0.511563 0.383990 O\n0.488437 0.086465 0.383990 O\n0.502845 0.002726 0.000000 O\n0.004228 0.995772 0.180809 O\n0.913535 0.511563 0.616010 O\n0.488437 0.086465 0.616010 O\n0.004228 0.995772 0.819191 O\n0.997274 0.497155 0.000000 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Ba",
                "Al",
                "Mo",
                "O"
            ],
            "chemical_system": "Al-Ba-Mo-O",
            "density": 5.769616502979773,
            "density_atomic": 0.06780064079209049,
            "volume": 206.48772395722278,
            "volume_molar": 8.882129563445854,
            "formula_full": "Ba2 Al1 Mo3 O8",
            "formula_reduced": "Ba2AlMo3O8",
            "formula_anonymous": "AB2C3D8",
            "energy": -110.59633709,
            "energy_per_atom": -7.899738363571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -95.49433709,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.0005606,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.894000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-728514",
            "created_at": "2022-09-04T14:40:22.978740Z",
            "structure_string": "Li9 Co9 O17\n1.0\n-6.625181 0.000000 0.000000\n3.245024 7.026007 0.000000\n-0.588046 -3.365598 -7.019331\nLi Co O\n9 9 17\ndirect\n0.556008 0.721045 0.055785 Li\n0.080252 0.933892 0.598923 Li\n0.667394 0.169321 0.166606 Li\n0.228525 0.389474 0.724691 Li\n0.778359 0.613705 0.276716 Li\n0.326992 0.812018 0.843517 Li\n0.884361 0.054306 0.386098 Li\n0.452616 0.299468 0.963866 Li\n0.001861 0.502436 0.498776 Li\n0.999579 0.000963 0.999405 Co\n0.560642 0.229054 0.549594 Co\n0.111780 0.443498 0.112335 Co\n0.662729 0.664864 0.663293 Co\n0.219785 0.889354 0.221277 Co\n0.796304 0.112309 0.779126 Co\n0.333425 0.341166 0.337705 Co\n0.888282 0.553843 0.887169 Co\n0.446551 0.771746 0.437796 Co\n0.562430 0.450942 0.786088 O\n0.123265 0.705545 0.353130 O\n0.670070 0.905419 0.904239 O\n0.991104 0.744408 0.758311 O\n0.250912 0.149744 0.473677 O\n0.544481 0.988864 0.331647 O\n0.793016 0.365774 0.019456 O\n0.117544 0.190781 0.872323 O\n0.340274 0.590147 0.581544 O\n0.660218 0.434430 0.424212 O\n0.897562 0.807350 0.127808 O\n0.211236 0.634947 0.980121 O\n0.763814 0.864521 0.535824 O\n0.009330 0.248696 0.243531 O\n0.325222 0.077257 0.091221 O\n0.854012 0.293087 0.638799 O\n0.427128 0.516692 0.193662 O\n",
            "nsites": 35,
            "nelements": 3,
            "elements": [
                "Li",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-O",
            "density": 4.395331473527335,
            "density_atomic": 0.10711887335430015,
            "volume": 326.73980694546736,
            "volume_molar": 5.621923169488086,
            "formula_full": "Li9 Co9 O17",
            "formula_reduced": "Li9Co9O17",
            "formula_anonymous": "A9B9C17",
            "energy": -220.61248438,
            "energy_per_atom": -6.3032138394285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -194.19148438,
            "band_gap": 0.7031999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003713,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.317000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1244983",
            "created_at": "2022-09-04T14:40:22.989369Z",
            "structure_string": "Fe40 O40\n1.0\n10.625443 -0.815077 0.225835\n-0.794983 10.421934 -0.328808\n0.186648 -0.317377 9.938067\nFe O\n40 40\ndirect\n0.114982 0.855735 0.106376 Fe\n0.238320 0.645732 0.834401 Fe\n0.997912 0.057635 0.842628 Fe\n0.840013 0.980933 0.150545 Fe\n0.059962 0.983699 0.427887 Fe\n0.136866 0.854298 0.668495 Fe\n0.894985 0.566506 0.070166 Fe\n0.845537 0.754345 0.308046 Fe\n0.316216 0.468353 0.117156 Fe\n0.403274 0.416315 0.788998 Fe\n0.570079 0.448352 0.278073 Fe\n0.677809 0.304148 0.593623 Fe\n0.475229 0.789783 0.699670 Fe\n0.564726 0.938180 0.287790 Fe\n0.173049 0.183524 0.641788 Fe\n0.881988 0.269620 0.051153 Fe\n0.887619 0.384193 0.774986 Fe\n0.282457 0.951052 0.919888 Fe\n0.873391 0.197612 0.423023 Fe\n0.140320 0.670418 0.330634 Fe\n0.576025 0.963797 0.989974 Fe\n0.457876 0.692797 0.356420 Fe\n0.729171 0.096475 0.773076 Fe\n0.124692 0.335329 0.898451 Fe\n0.347343 0.506927 0.536795 Fe\n0.715457 0.812888 0.838142 Fe\n0.685444 0.580327 0.559068 Fe\n0.317297 0.911186 0.445764 Fe\n0.398625 0.767762 0.092028 Fe\n0.601525 0.308793 0.972058 Fe\n0.957426 0.737631 0.864804 Fe\n0.649712 0.189309 0.264611 Fe\n0.676970 0.920278 0.538347 Fe\n0.997698 0.540907 0.574869 Fe\n0.619169 0.607441 0.028070 Fe\n0.835509 0.481928 0.341477 Fe\n0.134480 0.356480 0.396184 Fe\n0.121102 0.154850 0.176337 Fe\n0.416282 0.105716 0.155765 Fe\n0.418246 0.208408 0.506809 Fe\n0.388639 0.585544 0.718316 O\n0.536136 0.459084 0.919131 O\n0.064123 0.660599 0.729293 O\n0.963407 0.622129 0.257110 O\n0.245217 0.038553 0.097658 O\n0.277429 0.064024 0.555032 O\n0.040891 0.017340 0.651193 O\n0.793539 0.665026 0.937032 O\n0.524144 0.552626 0.446474 O\n0.526347 0.282967 0.152278 O\n0.689745 0.350799 0.394970 O\n0.778380 0.973050 0.962555 O\n0.262553 0.316964 0.517099 O\n0.549385 0.754909 0.966217 O\n0.669028 0.759690 0.649025 O\n0.195324 0.350220 0.214248 O\n0.959682 0.387060 0.437663 O\n0.299967 0.830799 0.766205 O\n0.029507 0.273153 0.735228 O\n0.747209 0.122343 0.570126 O\n0.985490 0.911909 0.236983 O\n0.059334 0.163096 0.376885 O\n0.756659 0.256982 0.892976 O\n0.578507 0.967952 0.787324 O\n0.255687 0.486917 0.935840 O\n0.488140 0.850063 0.483422 O\n0.316639 0.775633 0.276311 O\n0.504906 0.328179 0.652882 O\n0.484467 0.096279 0.352502 O\n0.730579 0.886641 0.325034 O\n0.042788 0.187071 0.000426 O\n0.179190 0.542576 0.465274 O\n0.973858 0.431419 0.962042 O\n0.803935 0.481575 0.650436 O\n0.267873 0.260122 0.802603 O\n0.066151 0.901018 0.910140 O\n0.466950 0.590552 0.171502 O\n0.719730 0.553482 0.169467 O\n0.828117 0.175747 0.215848 O\n0.126736 0.825737 0.464301 O\n",
            "nsites": 80,
            "nelements": 2,
            "elements": [
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O",
            "density": 4.367429083951232,
            "density_atomic": 0.073217321633868,
            "volume": 1092.6376192788039,
            "volume_molar": 8.225021928710307,
            "formula_full": "Fe40 O40",
            "formula_reduced": "FeO",
            "formula_anonymous": "AB",
            "energy": -633.0151902800001,
            "energy_per_atom": -7.912689878500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -515.29519028,
            "band_gap": 0.2905000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 164.0037141,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.474000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1176675",
            "created_at": "2022-09-04T14:40:22.993108Z",
            "structure_string": "Li4 Lu4 O8\n1.0\n6.125548 0.000000 0.000000\n0.000000 5.992638 0.000000\n0.000000 2.852722 5.326357\nLi Lu O\n4 4 8\ndirect\n0.147463 0.721547 0.545579 Li\n0.647463 0.278453 0.954421 Li\n0.352537 0.721547 0.045579 Li\n0.852537 0.278453 0.454421 Li\n0.871461 0.761119 0.985940 Lu\n0.628539 0.761119 0.485940 Lu\n0.371461 0.238881 0.514060 Lu\n0.128539 0.238881 0.014060 Lu\n0.157135 0.000542 0.821612 O\n0.342865 0.000542 0.321612 O\n0.887529 0.541558 0.765595 O\n0.387529 0.458442 0.734405 O\n0.612471 0.541558 0.265595 O\n0.112471 0.458442 0.234405 O\n0.657135 0.999458 0.678388 O\n0.842865 0.999458 0.178388 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Li",
                "Lu",
                "O"
            ],
            "chemical_system": "Li-Lu-O",
            "density": 7.266753302021154,
            "density_atomic": 0.08183266968247703,
            "volume": 195.52093390185593,
            "volume_molar": 7.359091159272704,
            "formula_full": "Li4 Lu4 O8",
            "formula_reduced": "LiLuO2",
            "formula_anonymous": "ABC2",
            "energy": -119.36857281,
            "energy_per_atom": -7.460535800625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.87257281,
            "band_gap": 4.3334,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:46.756000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-760796",
            "created_at": "2022-09-04T14:40:22.994382Z",
            "structure_string": "Li7 Cr1 Fe3 P6 O24\n1.0\n7.594571 -4.415617 0.000000\n7.594571 4.415617 0.000000\n5.027254 0.000000 7.204297\nLi Cr Fe P O\n7 1 3 6 24\ndirect\n0.706396 0.345727 0.163823 Li\n0.163823 0.706396 0.345727 Li\n0.345727 0.163823 0.706396 Li\n0.520502 0.520502 0.520502 Li\n0.755475 0.939516 0.197446 Li\n0.939516 0.197446 0.755475 Li\n0.197446 0.755475 0.939516 Li\n0.855322 0.855322 0.855322 Cr\n0.348287 0.348287 0.348287 Fe\n0.146037 0.146037 0.146037 Fe\n0.646744 0.646744 0.646744 Fe\n0.461873 0.749439 0.042705 P\n0.749439 0.042705 0.461873 P\n0.042705 0.461873 0.749439 P\n0.953807 0.546562 0.247853 P\n0.247853 0.953807 0.546562 P\n0.546562 0.247853 0.953807 P\n0.264651 0.896458 0.092749 O\n0.621838 0.802904 0.999003 O\n0.461860 0.570608 0.214523 O\n0.723834 0.872832 0.471189 O\n0.896458 0.092749 0.264651 O\n0.570608 0.214523 0.461860 O\n0.872832 0.471189 0.723834 O\n0.214523 0.461860 0.570608 O\n0.994508 0.385940 0.193633 O\n0.929963 0.737550 0.084188 O\n0.471189 0.723834 0.872832 O\n0.193633 0.994508 0.385940 O\n0.802904 0.999003 0.621838 O\n0.535404 0.280916 0.115516 O\n0.092749 0.264651 0.896458 O\n0.999003 0.621838 0.802904 O\n0.771168 0.562899 0.415707 O\n0.115516 0.535404 0.280916 O\n0.415707 0.771168 0.562899 O\n0.084188 0.929963 0.737550 O\n0.280916 0.115516 0.535404 O\n0.385940 0.193633 0.994508 O\n0.562899 0.415707 0.771168 O\n0.737550 0.084188 0.929963 O\n",
            "nsites": 41,
            "nelements": 5,
            "elements": [
                "Li",
                "Cr",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Cr-Fe-Li-O-P",
            "density": 2.879711781442593,
            "density_atomic": 0.08485307967154465,
            "volume": 483.1881194967316,
            "volume_molar": 7.097138705290288,
            "formula_full": "Li7 Cr1 Fe3 P6 O24",
            "formula_reduced": "Li7CrFe3(PO4)6",
            "formula_anonymous": "AB3C6D7E24",
            "energy": -302.75447129,
            "energy_per_atom": -7.384255397317074,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -277.49947129,
            "band_gap": 2.4489,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.027158,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.646000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-774561",
            "created_at": "2022-09-04T14:40:23.003268Z",
            "structure_string": "Zr4 P6 O24\n1.0\n7.916267 -4.549664 0.000000\n7.916267 4.549664 0.000000\n5.301468 0.000000 7.433784\nZr P O\n4 6 24\ndirect\n0.138906 0.138906 0.138906 Zr\n0.361094 0.361094 0.361094 Zr\n0.861094 0.861094 0.861094 Zr\n0.638906 0.638906 0.638906 Zr\n0.750000 0.035277 0.464723 P\n0.964723 0.535277 0.250000 P\n0.535277 0.250000 0.964723 P\n0.464723 0.750000 0.035277 P\n0.035277 0.464723 0.750000 P\n0.250000 0.964723 0.535277 P\n0.911794 0.060535 0.289339 O\n0.793339 0.999587 0.624577 O\n0.710661 0.088206 0.939465 O\n0.000413 0.375423 0.206661 O\n0.875423 0.500413 0.706661 O\n0.588206 0.210661 0.439465 O\n0.789339 0.560535 0.411794 O\n0.939465 0.710661 0.088206 O\n0.499587 0.293339 0.124577 O\n0.375423 0.206661 0.000413 O\n0.293339 0.124577 0.499587 O\n0.560535 0.411794 0.789339 O\n0.439465 0.588206 0.210661 O\n0.706661 0.875423 0.500413 O\n0.624577 0.793339 0.999587 O\n0.500413 0.706661 0.875423 O\n0.060535 0.289339 0.911794 O\n0.210661 0.439465 0.588206 O\n0.411794 0.789339 0.560535 O\n0.124577 0.499587 0.293339 O\n0.999587 0.624577 0.793339 O\n0.289339 0.911794 0.060535 O\n0.206661 0.000413 0.375423 O\n0.088206 0.939465 0.710661 O\n",
            "nsites": 34,
            "nelements": 3,
            "elements": [
                "Zr",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Zr",
            "density": 2.898630645862645,
            "density_atomic": 0.06349495582175625,
            "volume": 535.4756068410408,
            "volume_molar": 9.484439641009313,
            "formula_full": "Zr4 P6 O24",
            "formula_reduced": "Zr2(PO4)3",
            "formula_anonymous": "A2B3C12",
            "energy": -289.97101291,
            "energy_per_atom": -8.528559203235295,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -273.48301291,
            "band_gap": 4.292,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.0002422,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.392000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-34472",
            "created_at": "2022-09-04T14:40:23.008437Z",
            "structure_string": "Na2 Nd16 Se24\n1.0\n-4.473394 4.473394 13.466945\n4.473394 -4.473394 13.466945\n4.473394 4.473394 -13.466945\nNa Nd Se\n2 16 24\ndirect\n0.500000 0.500000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.213138 0.831378 0.125759 Nd\n0.494860 0.625000 0.369860 Nd\n0.917723 0.417723 0.500000 Nd\n0.255140 0.125000 0.630140 Nd\n0.705619 0.087379 0.874241 Nd\n0.832277 0.832277 0.000000 Nd\n0.536862 0.162621 0.118239 Nd\n0.837379 0.955619 0.374241 Nd\n0.581378 0.463138 0.625759 Nd\n0.044381 0.418622 0.881761 Nd\n0.167723 0.167723 0.000000 Nd\n0.875000 0.505140 0.130140 Nd\n0.168622 0.294381 0.381761 Nd\n0.582277 0.082277 0.500000 Nd\n0.912621 0.786862 0.618239 Nd\n0.375000 0.744860 0.869860 Nd\n0.841687 0.438336 0.247623 Se\n0.405936 0.158313 0.596649 Se\n0.190713 0.594064 0.752377 Se\n0.217347 0.470446 0.893440 Se\n0.577007 0.323907 0.106560 Se\n0.006761 0.108268 0.248362 Se\n0.561664 0.809287 0.403351 Se\n0.172993 0.779554 0.246901 Se\n0.859906 0.758398 0.751638 Se\n0.743239 0.491602 0.601508 Se\n0.532653 0.926093 0.753099 Se\n0.559287 0.811664 0.903351 Se\n0.908313 0.655936 0.096649 Se\n0.890094 0.141732 0.398492 Se\n0.344064 0.440713 0.252377 Se\n0.508398 0.109906 0.251638 Se\n0.188336 0.091687 0.747623 Se\n0.073907 0.827007 0.606560 Se\n0.858268 0.256761 0.748362 Se\n0.891732 0.140094 0.898492 Se\n0.241602 0.993239 0.101508 Se\n0.676093 0.782653 0.253099 Se\n0.220446 0.467347 0.393440 Se\n0.529554 0.422993 0.746901 Se\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "Na",
                "Nd",
                "Se"
            ],
            "chemical_system": "Na-Nd-Se",
            "density": 6.545176507055976,
            "density_atomic": 0.03896241885627601,
            "volume": 1077.9618214908314,
            "volume_molar": 15.456280530770904,
            "formula_full": "Na2 Nd16 Se24",
            "formula_reduced": "Na(Nd2Se3)4",
            "formula_anonymous": "AB8C12",
            "energy": -251.27916953,
            "energy_per_atom": -5.982837369761905,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.95116953,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2609541,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.745000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-881290",
            "created_at": "2022-09-04T14:40:23.016691Z",
            "structure_string": "La8 Ni4 O17\n1.0\n6.902717 0.000000 0.000000\n-2.222315 7.470222 0.000000\n-1.109066 -4.333954 7.447760\nLa Ni O\n8 4 17\ndirect\n0.717005 0.918357 0.172142 La\n0.707301 0.414259 0.175453 La\n0.279817 0.835539 0.326721 La\n0.274532 0.345115 0.318443 La\n0.723762 0.652626 0.686687 La\n0.713078 0.158971 0.678319 La\n0.285848 0.086212 0.823063 La\n0.288598 0.603001 0.813669 La\n0.995051 0.257027 0.494997 Ni\n0.992708 0.749811 0.499044 Ni\n0.000521 0.004689 0.998297 Ni\n0.005478 0.489101 0.006376 Ni\n0.341428 0.937348 0.082063 O\n0.342902 0.369264 0.154572 O\n0.969313 0.630971 0.239332 O\n0.971199 0.125779 0.246272 O\n0.657737 0.278926 0.425048 O\n0.653756 0.795307 0.413042 O\n0.010296 0.501266 0.500744 O\n0.343681 0.309123 0.518625 O\n0.341474 0.703049 0.587070 O\n0.011017 0.990829 0.508713 O\n0.009667 0.876933 0.752852 O\n0.663010 0.107340 0.912509 O\n0.491738 0.812475 0.873088 O\n0.664533 0.486906 0.912233 O\n0.983372 0.374737 0.744844 O\n0.054037 0.248446 0.009966 O\n0.974990 0.753107 0.992780 O\n",
            "nsites": 29,
            "nelements": 3,
            "elements": [
                "La",
                "Ni",
                "O"
            ],
            "chemical_system": "La-Ni-O",
            "density": 6.996007824366354,
            "density_atomic": 0.07551248245636304,
            "volume": 384.04246631354556,
            "volume_molar": 7.975026861923206,
            "formula_full": "La8 Ni4 O17",
            "formula_reduced": "La8Ni4O17",
            "formula_anonymous": "A4B8C17",
            "energy": -190.55502254,
            "energy_per_atom": -6.5708628462068965,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -168.71202254,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.5791994,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.126000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1113775",
            "created_at": "2022-09-04T14:40:23.026504Z",
            "structure_string": "Rb2 Al1 In1 F6\n1.0\n0.000000 4.495834 4.495834\n4.495834 0.000000 4.495834\n4.495834 4.495834 0.000000\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.205140 0.205140 0.794860 F\n0.205140 0.794860 0.794860 F\n0.794860 0.794860 0.205140 F\n0.205140 0.794860 0.205140 F\n0.794860 0.205140 0.794860 F\n0.794860 0.205140 0.205140 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Al",
                "In",
                "F"
            ],
            "chemical_system": "Al-F-In-Rb",
            "density": 3.898853837874808,
            "density_atomic": 0.055022358500183347,
            "volume": 181.74429945540552,
            "volume_molar": 10.944897536480434,
            "formula_full": "Rb2 Al1 In1 F6",
            "formula_reduced": "Rb2AlInF6",
            "formula_anonymous": "ABC2D6",
            "energy": -51.49587181999999,
            "energy_per_atom": -5.149587181999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.72387182,
            "band_gap": 4.202100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018743,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:53.672000Z",
            "spacegroup": 225
        }
    ]
}