GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=12132
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=nsites&page=12133",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12131",
    "results": [
        {
            "id": "mp-686175",
            "created_at": "2022-09-04T14:40:40.716516Z",
            "structure_string": "Si4 Bi60 O100\n1.0\n15.372633 -7.245835 0.000000\n15.372633 7.245835 0.000000\n11.957334 0.000000 12.076511\nSi Bi O\n4 60 100\ndirect\n0.799669 0.799669 0.799669 Si\n0.600152 0.600152 0.600152 Si\n0.400011 0.400011 0.400011 Si\n0.200278 0.200278 0.200278 Si\n0.911527 0.719621 0.575024 Bi\n0.970271 0.798954 0.282894 Bi\n0.815533 0.511984 0.677259 Bi\n0.893903 0.560646 0.395477 Bi\n0.921074 0.787056 0.099409 Bi\n0.811557 0.311029 0.616728 Bi\n0.995997 0.496532 0.159500 Bi\n0.712758 0.519267 0.377982 Bi\n0.872668 0.015951 0.712794 Bi\n0.916107 0.213965 0.406838 Bi\n0.757307 0.599265 0.091768 Bi\n0.978492 0.311511 0.116367 Bi\n0.616624 0.314202 0.474428 Bi\n0.816421 0.009539 0.509573 Bi\n0.691344 0.360024 0.200544 Bi\n0.719621 0.575024 0.911527 Bi\n0.905932 0.077741 0.210996 Bi\n0.605336 0.113970 0.417581 Bi\n0.798954 0.282894 0.970271 Bi\n0.509637 0.321707 0.177962 Bi\n0.677259 0.815533 0.511984 Bi\n0.718558 0.024174 0.202468 Bi\n0.560646 0.395477 0.893903 Bi\n0.787056 0.099409 0.921074 Bi\n0.418241 0.113672 0.273933 Bi\n0.616728 0.811557 0.311029 Bi\n0.496532 0.159500 0.995997 Bi\n0.519267 0.377982 0.712758 Bi\n0.712794 0.872668 0.015951 Bi\n0.406838 0.916107 0.213965 Bi\n0.599265 0.091768 0.757307 Bi\n0.311511 0.116367 0.978492 Bi\n0.474428 0.616624 0.314202 Bi\n0.509573 0.816421 0.009539 Bi\n0.360024 0.200544 0.691344 Bi\n0.575024 0.911527 0.719621 Bi\n0.210996 0.905932 0.077741 Bi\n0.417581 0.605336 0.113970 Bi\n0.282894 0.970271 0.798954 Bi\n0.321707 0.177962 0.509637 Bi\n0.511984 0.677259 0.815533 Bi\n0.202468 0.718558 0.024174 Bi\n0.395477 0.893903 0.560646 Bi\n0.099409 0.921074 0.787056 Bi\n0.273933 0.418241 0.113672 Bi\n0.311029 0.616728 0.811557 Bi\n0.159500 0.995997 0.496532 Bi\n0.377982 0.712758 0.519267 Bi\n0.015951 0.712794 0.872668 Bi\n0.213965 0.406838 0.916107 Bi\n0.091768 0.757307 0.599265 Bi\n0.116367 0.978492 0.311511 Bi\n0.314202 0.474428 0.616624 Bi\n0.009539 0.509573 0.816421 Bi\n0.200544 0.691344 0.360024 Bi\n0.077741 0.210996 0.905932 Bi\n0.113970 0.417581 0.605336 Bi\n0.177962 0.509637 0.321707 Bi\n0.024174 0.202468 0.718558 Bi\n0.113672 0.273933 0.418241 Bi\n0.945569 0.945569 0.945569 O\n0.876933 0.876933 0.876933 O\n0.874312 0.687153 0.875776 O\n0.875776 0.874312 0.687153 O\n0.762184 0.762184 0.762184 O\n0.915074 0.557049 0.676609 O\n0.985066 0.345230 0.723291 O\n0.849703 0.727274 0.467302 O\n0.679272 0.679272 0.679272 O\n0.850994 0.223548 0.850873 O\n0.850873 0.850994 0.223548 O\n0.945569 0.324097 0.584124 O\n0.674787 0.487262 0.675768 O\n0.675768 0.674787 0.487262 O\n0.871072 0.632515 0.251235 O\n0.876488 0.115073 0.754647 O\n0.837764 0.441274 0.442016 O\n0.562563 0.562563 0.562563 O\n0.925822 0.184386 0.542171 O\n0.926617 0.669801 0.045634 O\n0.852641 0.471121 0.233266 O\n0.713846 0.357473 0.477295 O\n0.785159 0.142320 0.524829 O\n0.647577 0.526656 0.267155 O\n0.479055 0.479055 0.479055 O\n0.833053 0.453517 0.069181 O\n0.954076 0.078183 0.315957 O\n0.641277 0.037857 0.640527 O\n0.640527 0.641277 0.037857 O\n0.740682 0.127032 0.383676 O\n0.866484 0.250009 0.127867 O\n0.474748 0.287340 0.475524 O\n0.475524 0.474748 0.287340 O\n0.669312 0.431417 0.055448 O\n0.676609 0.915074 0.557049 O\n0.631065 0.245932 0.245990 O\n0.362355 0.362355 0.362355 O\n0.723291 0.985066 0.345230 O\n0.727274 0.467302 0.849703 O\n0.837533 0.108655 0.108262 O\n0.650037 0.272147 0.033590 O\n0.515202 0.158321 0.277328 O\n0.584124 0.945569 0.324097 O\n0.446944 0.327348 0.068277 O\n0.279718 0.279718 0.279718 O\n0.632515 0.251235 0.871072 O\n0.754647 0.876488 0.115073 O\n0.442016 0.837764 0.441274 O\n0.441274 0.442016 0.837764 O\n0.542171 0.925822 0.184386 O\n0.669801 0.045634 0.926617 O\n0.276715 0.087184 0.273761 O\n0.273761 0.276715 0.087184 O\n0.471121 0.233266 0.852641 O\n0.477295 0.713846 0.357473 O\n0.438737 0.041981 0.040663 O\n0.162435 0.162435 0.162435 O\n0.524829 0.785159 0.142320 O\n0.526656 0.267155 0.647577 O\n0.687153 0.875776 0.874312 O\n0.453517 0.069181 0.833053 O\n0.315957 0.954076 0.078183 O\n0.383676 0.740682 0.127032 O\n0.250009 0.127867 0.866484 O\n0.074628 0.074628 0.074628 O\n0.431417 0.055448 0.669312 O\n0.557049 0.676609 0.915074 O\n0.245990 0.631065 0.245932 O\n0.245932 0.245990 0.631065 O\n0.345230 0.723291 0.985066 O\n0.467302 0.849703 0.727274 O\n0.108262 0.837533 0.108655 O\n0.108655 0.108262 0.837533 O\n0.272147 0.033590 0.650037 O\n0.277328 0.515202 0.158321 O\n0.223548 0.850873 0.850994 O\n0.324097 0.584124 0.945569 O\n0.327348 0.068277 0.446944 O\n0.487262 0.675768 0.674787 O\n0.251235 0.871072 0.632515 O\n0.115073 0.754647 0.876488 O\n0.184386 0.542171 0.925822 O\n0.045634 0.926617 0.669801 O\n0.233266 0.852641 0.471121 O\n0.357473 0.477295 0.713846 O\n0.040663 0.438737 0.041981 O\n0.041981 0.040663 0.438737 O\n0.142320 0.524829 0.785159 O\n0.267155 0.647577 0.526656 O\n0.069181 0.833053 0.453517 O\n0.078183 0.315957 0.954076 O\n0.037857 0.640527 0.641277 O\n0.127032 0.383676 0.740682 O\n0.127867 0.866484 0.250009 O\n0.287340 0.475524 0.474748 O\n0.055448 0.669312 0.431417 O\n0.033590 0.650037 0.272147 O\n0.158321 0.277328 0.515202 O\n0.068277 0.446944 0.327348 O\n0.087184 0.273761 0.276715 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Si",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Si",
            "density": 8.796086501160554,
            "density_atomic": 0.06095869650208622,
            "volume": 2690.3462411534233,
            "volume_molar": 9.879051071562694,
            "formula_full": "Si4 Bi60 O100",
            "formula_reduced": "Si(Bi3O5)5",
            "formula_anonymous": "AB15C25",
            "energy": -1032.74971315,
            "energy_per_atom": -6.297254348475609,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -964.04971315,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.2448351,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.849000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-707782",
            "created_at": "2022-09-04T14:41:28.961605Z",
            "structure_string": "K24 Zr12 H32 O48 F48\n1.0\n11.048143 0.000000 0.000000\n0.000000 13.967678 0.000000\n0.000000 0.000000 14.726268\nK Zr H O F\n24 12 32 48 48\ndirect\n0.132701 0.458094 0.891511 K\n0.367299 0.041906 0.391511 K\n0.867299 0.958094 0.108489 K\n0.632701 0.541906 0.608489 K\n0.867299 0.541906 0.108489 K\n0.632701 0.958094 0.608489 K\n0.132701 0.041906 0.891511 K\n0.367299 0.458094 0.391511 K\n0.431432 0.895573 0.822636 K\n0.068568 0.604427 0.322636 K\n0.568568 0.395573 0.177364 K\n0.931432 0.104427 0.677364 K\n0.568568 0.104427 0.177364 K\n0.931432 0.395573 0.677364 K\n0.431432 0.604427 0.822636 K\n0.068568 0.895573 0.322636 K\n0.189541 0.880322 0.611628 K\n0.310459 0.619678 0.111628 K\n0.810459 0.380322 0.388372 K\n0.689541 0.119678 0.888372 K\n0.810459 0.119678 0.388372 K\n0.689541 0.380322 0.888372 K\n0.189541 0.619678 0.611628 K\n0.310459 0.880322 0.111628 K\n0.630974 0.250000 0.596250 Zr\n0.869026 0.250000 0.096250 Zr\n0.369026 0.750000 0.403750 Zr\n0.130974 0.750000 0.903750 Zr\n0.333593 0.109768 0.663795 Zr\n0.166407 0.390232 0.163795 Zr\n0.666407 0.609768 0.336205 Zr\n0.833593 0.890232 0.836205 Zr\n0.666407 0.890232 0.336205 Zr\n0.833593 0.609768 0.836205 Zr\n0.333593 0.390232 0.663795 Zr\n0.166407 0.109768 0.163795 Zr\n0.173144 0.250000 0.801693 H\n0.326856 0.250000 0.301693 H\n0.826856 0.750000 0.198307 H\n0.673144 0.750000 0.698307 H\n0.947561 0.250000 0.865473 H\n0.552439 0.250000 0.365473 H\n0.052439 0.750000 0.134527 H\n0.447561 0.750000 0.634527 H\n0.410389 0.065161 0.999386 H\n0.089611 0.434839 0.499386 H\n0.589611 0.565161 0.000614 H\n0.910389 0.934839 0.500614 H\n0.589611 0.934839 0.000614 H\n0.910389 0.565161 0.500614 H\n0.410389 0.434839 0.999386 H\n0.089611 0.065161 0.499386 H\n0.437368 0.193832 0.853465 H\n0.062632 0.306168 0.353465 H\n0.562632 0.693832 0.146535 H\n0.937368 0.806168 0.646535 H\n0.562632 0.806168 0.146535 H\n0.937368 0.693832 0.646535 H\n0.437368 0.306168 0.853465 H\n0.062632 0.193832 0.353465 H\n0.479311 0.250000 0.000681 H\n0.020689 0.250000 0.500681 H\n0.520689 0.750000 0.999319 H\n0.979311 0.750000 0.499319 H\n0.108512 0.250000 0.584295 H\n0.391488 0.250000 0.084295 H\n0.891488 0.750000 0.415705 H\n0.608512 0.750000 0.915705 H\n0.488626 0.139160 0.572161 O\n0.011374 0.360840 0.072161 O\n0.511374 0.639160 0.427839 O\n0.988626 0.860840 0.927839 O\n0.511374 0.860840 0.427839 O\n0.988626 0.639160 0.927839 O\n0.488626 0.360840 0.572161 O\n0.011374 0.139160 0.072161 O\n0.526320 0.141120 0.670848 O\n0.973680 0.358880 0.170848 O\n0.473680 0.641120 0.329152 O\n0.026320 0.858880 0.829152 O\n0.473680 0.858880 0.329152 O\n0.026320 0.641120 0.829152 O\n0.526320 0.358880 0.670848 O\n0.973680 0.141120 0.170848 O\n0.283537 0.250000 0.721910 O\n0.216463 0.250000 0.221910 O\n0.716463 0.750000 0.278090 O\n0.783537 0.750000 0.778090 O\n0.258433 0.250000 0.621704 O\n0.241567 0.250000 0.121704 O\n0.741567 0.750000 0.378296 O\n0.758433 0.750000 0.878296 O\n0.001993 0.250000 0.810850 O\n0.498007 0.250000 0.310850 O\n0.998007 0.750000 0.189150 O\n0.501993 0.750000 0.689150 O\n0.121035 0.250000 0.857144 O\n0.378965 0.250000 0.357144 O\n0.878965 0.750000 0.142856 O\n0.621035 0.750000 0.642856 O\n0.485387 0.040173 0.969318 O\n0.014613 0.459827 0.469318 O\n0.514613 0.540173 0.030682 O\n0.985387 0.959827 0.530682 O\n0.514613 0.959827 0.030682 O\n0.985387 0.540173 0.530682 O\n0.485387 0.459827 0.969318 O\n0.014613 0.040173 0.469318 O\n0.479764 0.250000 0.879978 O\n0.020236 0.250000 0.379978 O\n0.520236 0.750000 0.120022 O\n0.979764 0.750000 0.620022 O\n0.021534 0.250000 0.568053 O\n0.478466 0.250000 0.068053 O\n0.978466 0.750000 0.431947 O\n0.521534 0.750000 0.931947 O\n0.366971 0.092328 0.804646 F\n0.133029 0.407672 0.304646 F\n0.633029 0.592328 0.195354 F\n0.866971 0.907672 0.695354 F\n0.633029 0.907672 0.195354 F\n0.866971 0.592328 0.695354 F\n0.366971 0.407672 0.804646 F\n0.133029 0.092328 0.304646 F\n0.166533 0.058000 0.708719 F\n0.333467 0.442000 0.208719 F\n0.833467 0.558000 0.291281 F\n0.666533 0.942000 0.791281 F\n0.833467 0.942000 0.291281 F\n0.666533 0.558000 0.791281 F\n0.166533 0.442000 0.708719 F\n0.333467 0.058000 0.208719 F\n0.890525 0.031850 0.841872 F\n0.609475 0.468150 0.341872 F\n0.109475 0.531850 0.158128 F\n0.390525 0.968150 0.658128 F\n0.109475 0.968150 0.158128 F\n0.390525 0.531850 0.658128 F\n0.890525 0.468150 0.841872 F\n0.609475 0.031850 0.341872 F\n0.244995 0.071015 0.541082 F\n0.255005 0.428985 0.041082 F\n0.755005 0.571015 0.458918 F\n0.744995 0.928985 0.958918 F\n0.755005 0.928985 0.458918 F\n0.744995 0.571015 0.958918 F\n0.244995 0.428985 0.541082 F\n0.255005 0.071015 0.041082 F\n0.748716 0.137433 0.569680 F\n0.751284 0.362567 0.069680 F\n0.251284 0.637433 0.430320 F\n0.248716 0.862567 0.930320 F\n0.251284 0.862567 0.430320 F\n0.248716 0.637433 0.930320 F\n0.748716 0.362567 0.569680 F\n0.751284 0.137433 0.069680 F\n0.860456 0.250000 0.950282 F\n0.639544 0.250000 0.450282 F\n0.139544 0.750000 0.049718 F\n0.360456 0.750000 0.549718 F\n0.728203 0.250000 0.719447 F\n0.771797 0.250000 0.219447 F\n0.271797 0.750000 0.280553 F\n0.228203 0.750000 0.780553 F\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "K",
                "Zr",
                "H",
                "O",
                "F"
            ],
            "chemical_system": "F-H-K-O-Zr",
            "density": 2.736638470402029,
            "density_atomic": 0.0721668329724357,
            "volume": 2272.5120840849454,
            "volume_molar": 8.344748566561279,
            "formula_full": "K24 Zr12 H32 O48 F48",
            "formula_reduced": "K6Zr3H8(OF)12",
            "formula_anonymous": "A3B6C8D12E12",
            "energy": -967.70815495,
            "energy_per_atom": -5.900659481402439,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -912.55615495,
            "band_gap": 3.3651,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.03e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:24.600000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-850293",
            "created_at": "2022-09-04T14:41:23.645450Z",
            "structure_string": "Al8 H64 S12 O80\n1.0\n22.167699 0.000000 0.000000\n0.000000 7.400737 0.000000\n0.000000 0.245063 9.657422\nAl H S O\n8 64 12 80\ndirect\n0.851504 0.805915 0.951705 Al\n0.648496 0.805915 0.451705 Al\n0.396654 0.774977 0.997813 Al\n0.103346 0.774977 0.497813 Al\n0.896654 0.225023 0.502187 Al\n0.603346 0.225023 0.002187 Al\n0.351504 0.194085 0.548295 Al\n0.148496 0.194085 0.048295 Al\n0.261364 0.984708 0.607938 H\n0.044156 0.001819 0.646070 H\n0.238636 0.984708 0.107938 H\n0.455844 0.001819 0.146070 H\n0.421287 0.910513 0.540339 H\n0.139707 0.878317 0.951690 H\n0.078713 0.910513 0.040339 H\n0.360293 0.878317 0.451690 H\n0.738312 0.850347 0.996883 H\n0.761688 0.850347 0.496883 H\n0.997252 0.844012 0.599507 H\n0.502748 0.844012 0.099507 H\n0.614170 0.771164 0.699509 H\n0.966532 0.737254 0.990416 H\n0.885830 0.771164 0.199509 H\n0.533468 0.737254 0.490416 H\n0.306558 0.721081 0.830182 H\n0.193442 0.721081 0.330182 H\n0.675533 0.649377 0.695214 H\n0.824467 0.649377 0.195214 H\n0.944849 0.623393 0.858474 H\n0.555151 0.623393 0.358474 H\n0.777584 0.555636 0.861682 H\n0.325288 0.527833 0.907436 H\n0.722416 0.555636 0.361682 H\n0.174712 0.527833 0.407436 H\n0.930475 0.560769 0.517937 H\n0.043826 0.524027 0.625645 H\n0.569525 0.560769 0.017937 H\n0.456174 0.524027 0.125645 H\n0.820392 0.472135 0.981354 H\n0.320392 0.527865 0.518646 H\n0.679608 0.472135 0.481354 H\n0.179608 0.527865 0.018646 H\n0.543826 0.475973 0.874355 H\n0.430475 0.439231 0.982063 H\n0.956174 0.475973 0.374355 H\n0.069525 0.439231 0.482063 H\n0.825288 0.472167 0.592564 H\n0.277584 0.444364 0.638318 H\n0.674712 0.472167 0.092564 H\n0.222416 0.444364 0.138318 H\n0.444849 0.376607 0.641526 H\n0.055151 0.376607 0.141526 H\n0.175533 0.350623 0.804786 H\n0.324467 0.350623 0.304786 H\n0.806558 0.278919 0.669818 H\n0.693442 0.278919 0.169818 H\n0.466532 0.262746 0.509584 H\n0.114170 0.228836 0.800491 H\n0.033468 0.262746 0.009584 H\n0.385830 0.228836 0.300491 H\n0.497252 0.155988 0.900493 H\n0.002748 0.155988 0.400493 H\n0.238312 0.149653 0.503117 H\n0.261688 0.149653 0.003117 H\n0.639707 0.121683 0.548310 H\n0.921287 0.089487 0.959661 H\n0.860293 0.121683 0.048310 H\n0.578713 0.089487 0.459661 H\n0.544156 0.998181 0.853930 H\n0.761364 0.015292 0.892062 H\n0.955844 0.998181 0.353930 H\n0.738636 0.015292 0.392062 H\n0.864298 0.831771 0.619819 S\n0.635702 0.831771 0.119819 S\n0.489484 0.731232 0.737841 S\n0.010516 0.731232 0.237841 S\n0.197764 0.693004 0.751950 S\n0.302236 0.693004 0.251950 S\n0.697764 0.306996 0.748050 S\n0.802236 0.306996 0.248050 S\n0.989484 0.268768 0.762159 S\n0.510516 0.268768 0.262159 S\n0.364298 0.168229 0.880181 S\n0.135702 0.168229 0.380181 S\n0.359233 0.999722 0.967820 O\n0.140767 0.999722 0.467820 O\n0.113724 0.973224 0.993946 O\n0.386276 0.973224 0.493946 O\n0.773773 0.916391 0.958280 O\n0.726227 0.916391 0.458280 O\n0.853172 0.884540 0.764978 O\n0.040090 0.881802 0.599278 O\n0.646828 0.884540 0.264978 O\n0.459910 0.881802 0.099278 O\n0.440046 0.806668 0.824607 O\n0.252262 0.806115 0.725041 O\n0.548376 0.804716 0.786820 O\n0.059954 0.806668 0.324607 O\n0.247738 0.806115 0.225041 O\n0.478534 0.792551 0.591945 O\n0.951624 0.804716 0.286820 O\n0.021466 0.792551 0.091945 O\n0.146455 0.764164 0.668110 O\n0.924905 0.749158 0.607158 O\n0.353545 0.764164 0.168110 O\n0.651334 0.746388 0.644743 O\n0.575095 0.749158 0.107158 O\n0.848666 0.746388 0.144743 O\n0.930545 0.701697 0.933337 O\n0.179320 0.699744 0.900159 O\n0.816813 0.707450 0.572517 O\n0.569455 0.701697 0.433337 O\n0.320680 0.699744 0.400159 O\n0.683187 0.707450 0.072517 O\n0.334028 0.659371 0.899438 O\n0.165972 0.659371 0.399438 O\n0.816708 0.574304 0.911660 O\n0.683292 0.574304 0.411660 O\n0.067602 0.549703 0.539407 O\n0.491439 0.531052 0.748258 O\n0.432398 0.549703 0.039407 O\n0.008561 0.531052 0.248258 O\n0.211830 0.501623 0.717500 O\n0.711830 0.498377 0.782500 O\n0.288170 0.501623 0.217500 O\n0.788170 0.498377 0.282500 O\n0.991439 0.468948 0.751742 O\n0.567602 0.450297 0.960593 O\n0.508561 0.468948 0.251742 O\n0.932398 0.450297 0.460593 O\n0.316708 0.425696 0.588340 O\n0.183292 0.425696 0.088340 O\n0.834028 0.340629 0.600562 O\n0.665972 0.340629 0.100562 O\n0.316813 0.292550 0.927483 O\n0.679320 0.300256 0.599841 O\n0.430545 0.298303 0.566663 O\n0.183187 0.292550 0.427483 O\n0.820680 0.300256 0.099841 O\n0.069455 0.298303 0.066663 O\n0.151334 0.253612 0.855257 O\n0.424905 0.250842 0.892842 O\n0.348666 0.253612 0.355257 O\n0.646455 0.235836 0.831890 O\n0.075095 0.250842 0.392842 O\n0.853545 0.235836 0.331890 O\n0.978534 0.207449 0.908055 O\n0.048376 0.195284 0.713180 O\n0.521466 0.207449 0.408055 O\n0.752261 0.193885 0.774959 O\n0.940046 0.193332 0.675393 O\n0.451624 0.195284 0.213180 O\n0.747738 0.193885 0.274959 O\n0.559954 0.193332 0.175393 O\n0.540090 0.118198 0.900722 O\n0.353172 0.115460 0.735022 O\n0.959910 0.118198 0.400722 O\n0.146828 0.115460 0.235022 O\n0.273773 0.083609 0.541720 O\n0.226227 0.083609 0.041720 O\n0.613724 0.026776 0.506054 O\n0.886276 0.026776 0.006054 O\n0.859233 0.000278 0.532180 O\n0.640767 0.000278 0.032180 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "Al",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Al-H-O-S",
            "density": 2.0386025063643602,
            "density_atomic": 0.10351113057614031,
            "volume": 1584.370676729934,
            "volume_molar": 5.817867823953732,
            "formula_full": "Al8 H64 S12 O80",
            "formula_reduced": "Al2H16S3O20",
            "formula_anonymous": "A2B3C16D20",
            "energy": -976.96899415,
            "energy_per_atom": -5.957128013109756,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -922.00899415,
            "band_gap": 5.397799999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:13.169000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-685503",
            "created_at": "2022-09-04T14:41:14.880707Z",
            "structure_string": "K4 Zr48 I112\n1.0\n11.334844 0.209244 0.000000\n-0.993385 11.293169 0.000000\n0.000000 0.000000 53.287512\nK Zr I\n4 48 112\ndirect\n0.994277 0.994277 0.648627 K\n0.062499 0.062499 0.876254 K\n0.562499 0.562499 0.498746 K\n0.494277 0.494277 0.726373 K\n0.052034 0.822661 0.095745 Zr\n0.053914 0.820129 0.344574 Zr\n0.047302 0.830676 0.599838 Zr\n0.013039 0.803205 0.846322 Zr\n0.181026 0.949586 0.154844 Zr\n0.166022 0.959964 0.399585 Zr\n0.218126 0.947566 0.652527 Zr\n0.215720 0.913523 0.913043 Zr\n0.102881 0.102881 0.106912 Zr\n0.112204 0.112204 0.352171 Zr\n0.124389 0.124389 0.601875 Zr\n0.192739 0.192739 0.836706 Zr\n0.320129 0.553914 0.030426 Zr\n0.303205 0.513039 0.528678 Zr\n0.322661 0.552034 0.279255 Zr\n0.330676 0.547302 0.775162 Zr\n0.399501 0.399501 0.231192 Zr\n0.320940 0.320940 0.724187 Zr\n0.354449 0.354449 0.479557 Zr\n0.392777 0.392777 0.981094 Zr\n0.449586 0.681026 0.220156 Zr\n0.447566 0.718126 0.722473 Zr\n0.413523 0.715720 0.461957 Zr\n0.459964 0.666022 0.975415 Zr\n0.553914 0.320129 0.030426 Zr\n0.552034 0.322661 0.279255 Zr\n0.513039 0.303205 0.528678 Zr\n0.547302 0.330676 0.775162 Zr\n0.612204 0.612204 0.022829 Zr\n0.602881 0.602881 0.268088 Zr\n0.692739 0.692739 0.538294 Zr\n0.624389 0.624389 0.773125 Zr\n0.718126 0.447566 0.722473 Zr\n0.681026 0.449586 0.220156 Zr\n0.715720 0.413523 0.461957 Zr\n0.666022 0.459964 0.975415 Zr\n0.899501 0.899501 0.143808 Zr\n0.820940 0.820940 0.650813 Zr\n0.854449 0.854449 0.895443 Zr\n0.892777 0.892777 0.393906 Zr\n0.822661 0.052034 0.095745 Zr\n0.820129 0.053914 0.344574 Zr\n0.803205 0.013039 0.846322 Zr\n0.830676 0.047302 0.599838 Zr\n0.949586 0.181026 0.154844 Zr\n0.947566 0.218126 0.652527 Zr\n0.959964 0.166022 0.399585 Zr\n0.913523 0.215720 0.913043 Zr\n0.029404 0.794276 0.184967 I\n0.034971 0.798817 0.433963 I\n0.038352 0.788201 0.684800 I\n0.023350 0.787115 0.936736 I\n0.107223 0.611463 0.062420 I\n0.111463 0.607223 0.312580 I\n0.103390 0.603451 0.561927 I\n0.103451 0.603390 0.813073 I\n0.107188 0.343973 0.127567 I\n0.109188 0.346836 0.374239 I\n0.118008 0.362599 0.625062 I\n0.099634 0.348065 0.876806 I\n0.155855 0.395311 0.002841 I\n0.158937 0.395473 0.251960 I\n0.124917 0.375355 0.501283 I\n0.132168 0.387493 0.755279 I\n0.208679 0.973463 0.065738 I\n0.206117 0.966815 0.312629 I\n0.202504 0.960564 0.564249 I\n0.192687 0.956774 0.815475 I\n0.143938 0.143938 0.190603 I\n0.149787 0.149787 0.438165 I\n0.153539 0.153539 0.689681 I\n0.134521 0.134521 0.936949 I\n0.253378 0.753663 0.000823 I\n0.248203 0.752717 0.249823 I\n0.243538 0.757424 0.751137 I\n0.248005 0.736927 0.501019 I\n0.252717 0.748203 0.125177 I\n0.253663 0.753378 0.374177 I\n0.257424 0.743538 0.623863 I\n0.236927 0.748005 0.873981 I\n0.294276 0.529404 0.190033 I\n0.287115 0.523350 0.438264 I\n0.288201 0.538352 0.690200 I\n0.298817 0.534971 0.941037 I\n0.356437 0.356437 0.065295 I\n0.358241 0.358241 0.315130 I\n0.329085 0.329085 0.565834 I\n0.362056 0.362056 0.815376 I\n0.391718 0.891718 0.187500 I\n0.417587 0.917587 0.687500 I\n0.391259 0.918214 0.434036 I\n0.418214 0.891259 0.940964 I\n0.343973 0.107188 0.127567 I\n0.346836 0.109188 0.374239 I\n0.362599 0.118008 0.625062 I\n0.348065 0.099634 0.876806 I\n0.395311 0.155855 0.002841 I\n0.395473 0.158937 0.251960 I\n0.375355 0.124917 0.501283 I\n0.387493 0.132168 0.755279 I\n0.466815 0.706117 0.062370 I\n0.473463 0.708679 0.309262 I\n0.456774 0.692687 0.559525 I\n0.460564 0.702504 0.810751 I\n0.529404 0.294276 0.190033 I\n0.523350 0.287115 0.438264 I\n0.538352 0.288201 0.690200 I\n0.534971 0.298817 0.941037 I\n0.607188 0.843973 0.247433 I\n0.599634 0.848065 0.498193 I\n0.618008 0.862599 0.749938 I\n0.609188 0.846836 0.000762 I\n0.658937 0.895473 0.123040 I\n0.655855 0.895311 0.372158 I\n0.632168 0.887493 0.619721 I\n0.624917 0.875355 0.873717 I\n0.611463 0.107223 0.062420 I\n0.607223 0.111463 0.312580 I\n0.603390 0.103451 0.813073 I\n0.603451 0.103390 0.561927 I\n0.634521 0.634521 0.438051 I\n0.653539 0.653539 0.685319 I\n0.643938 0.643938 0.184397 I\n0.649787 0.649787 0.936835 I\n0.706117 0.466815 0.062370 I\n0.708679 0.473463 0.309262 I\n0.702504 0.460564 0.810751 I\n0.692687 0.456774 0.559525 I\n0.748203 0.252717 0.125177 I\n0.753378 0.253663 0.374177 I\n0.743538 0.257424 0.623863 I\n0.748005 0.236927 0.873981 I\n0.753663 0.253378 0.000823 I\n0.752717 0.248203 0.249823 I\n0.736927 0.248005 0.501019 I\n0.757424 0.243538 0.751137 I\n0.858241 0.858241 0.059870 I\n0.856437 0.856437 0.309705 I\n0.862056 0.862056 0.559624 I\n0.829085 0.829085 0.809166 I\n0.794276 0.029404 0.184967 I\n0.798817 0.034971 0.433963 I\n0.788201 0.038352 0.684800 I\n0.787115 0.023350 0.936736 I\n0.843973 0.607188 0.247433 I\n0.862599 0.618008 0.749938 I\n0.846836 0.609188 0.000762 I\n0.848065 0.599634 0.498193 I\n0.895473 0.658937 0.123040 I\n0.895311 0.655855 0.372158 I\n0.887493 0.632168 0.619721 I\n0.875355 0.624917 0.873717 I\n0.891718 0.391718 0.187500 I\n0.918214 0.391259 0.434036 I\n0.917587 0.417587 0.687500 I\n0.891259 0.418214 0.940964 I\n0.973463 0.208679 0.065738 I\n0.966815 0.206117 0.312629 I\n0.960564 0.202504 0.564249 I\n0.956774 0.192687 0.815475 I\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "K",
                "Zr",
                "I"
            ],
            "chemical_system": "I-K-Zr",
            "density": 4.556725902525909,
            "density_atomic": 0.024003931768426922,
            "volume": 6832.214054853881,
            "volume_molar": 25.088143134622218,
            "formula_full": "K4 Zr48 I112",
            "formula_reduced": "K(Zr3I7)4",
            "formula_anonymous": "AB12C28",
            "energy": -744.72735347,
            "energy_per_atom": -4.541020447987805,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -702.27935347,
            "band_gap": 0.0914999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.4858013,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.093000Z",
            "spacegroup": 39
        },
        {
            "id": "mp-734336",
            "created_at": "2022-09-04T14:41:10.330474Z",
            "structure_string": "Pr8 N48 O108\n1.0\n13.955566 0.000000 0.000000\n0.000000 13.955566 0.000000\n0.000000 0.000000 13.955566\nPr N O\n8 48 108\ndirect\n0.561322 0.061322 0.438678 Pr\n0.438678 0.561322 0.061322 Pr\n0.061322 0.438678 0.561322 Pr\n0.938678 0.938678 0.938678 Pr\n0.188678 0.688678 0.811322 Pr\n0.688678 0.811322 0.188678 Pr\n0.811322 0.188678 0.688678 Pr\n0.311322 0.311322 0.311322 Pr\n0.699278 0.449278 0.375000 N\n0.300722 0.949278 0.125000 N\n0.949278 0.125000 0.300722 N\n0.050722 0.625000 0.199278 N\n0.625000 0.199278 0.050722 N\n0.375000 0.699278 0.449278 N\n0.199278 0.050722 0.625000 N\n0.800722 0.550722 0.875000 N\n0.449278 0.375000 0.699278 N\n0.550722 0.875000 0.800722 N\n0.125000 0.300722 0.949278 N\n0.875000 0.800722 0.550722 N\n0.518694 0.268694 0.375000 N\n0.481306 0.768694 0.125000 N\n0.768694 0.125000 0.481306 N\n0.231306 0.625000 0.018694 N\n0.625000 0.018694 0.231306 N\n0.375000 0.518694 0.268694 N\n0.018694 0.231306 0.625000 N\n0.981306 0.731306 0.875000 N\n0.268694 0.375000 0.518694 N\n0.731306 0.875000 0.981306 N\n0.125000 0.481306 0.768694 N\n0.875000 0.981306 0.731306 N\n0.359998 0.404375 0.924953 N\n0.640002 0.904375 0.575047 N\n0.904375 0.575047 0.640002 N\n0.095625 0.075047 0.859998 N\n0.075047 0.859998 0.095625 N\n0.924953 0.359998 0.404375 N\n0.859998 0.095625 0.075047 N\n0.140002 0.595625 0.424953 N\n0.404375 0.924953 0.359998 N\n0.595625 0.424953 0.140002 N\n0.575047 0.640002 0.904375 N\n0.424953 0.140002 0.595625 N\n0.845625 0.890002 0.325047 N\n0.345625 0.609998 0.674953 N\n0.154375 0.390002 0.174953 N\n0.654375 0.109998 0.825047 N\n0.609998 0.674953 0.345625 N\n0.390002 0.174953 0.154375 N\n0.890002 0.325047 0.845625 N\n0.109998 0.825047 0.654375 N\n0.674953 0.345625 0.609998 N\n0.174953 0.154375 0.390002 N\n0.325047 0.845625 0.890002 N\n0.825047 0.654375 0.109998 N\n0.452522 0.202522 0.375000 O\n0.547478 0.702522 0.125000 O\n0.702522 0.125000 0.547478 O\n0.297478 0.625000 0.952522 O\n0.625000 0.952522 0.297478 O\n0.375000 0.452522 0.202522 O\n0.952522 0.297478 0.625000 O\n0.047478 0.797478 0.875000 O\n0.202522 0.375000 0.452522 O\n0.797478 0.875000 0.047478 O\n0.125000 0.547478 0.702522 O\n0.875000 0.047478 0.797478 O\n0.653196 0.995925 0.149527 O\n0.346804 0.495925 0.350473 O\n0.495925 0.350473 0.346804 O\n0.504075 0.850473 0.153196 O\n0.850473 0.153196 0.504075 O\n0.149527 0.653196 0.995925 O\n0.153196 0.504075 0.850473 O\n0.846804 0.004075 0.649527 O\n0.995925 0.149527 0.653196 O\n0.004075 0.649527 0.846804 O\n0.350473 0.346804 0.495925 O\n0.649527 0.846804 0.004075 O\n0.254075 0.596804 0.100473 O\n0.754075 0.903196 0.899527 O\n0.745925 0.096804 0.399527 O\n0.245925 0.403196 0.600473 O\n0.903196 0.899527 0.754075 O\n0.096804 0.399527 0.745925 O\n0.596804 0.100473 0.254075 O\n0.403196 0.600473 0.245925 O\n0.899527 0.754075 0.903196 O\n0.399527 0.745925 0.096804 O\n0.100473 0.254075 0.596804 O\n0.600473 0.245925 0.403196 O\n0.683883 0.652147 0.297314 O\n0.316117 0.152147 0.202686 O\n0.152147 0.202686 0.316117 O\n0.847853 0.702686 0.183883 O\n0.702686 0.183883 0.847853 O\n0.297314 0.683883 0.652147 O\n0.183883 0.847853 0.702686 O\n0.816117 0.347853 0.797314 O\n0.652147 0.297314 0.683883 O\n0.347853 0.797314 0.816117 O\n0.202686 0.316117 0.152147 O\n0.797314 0.816117 0.347853 O\n0.597853 0.566117 0.952686 O\n0.097853 0.933883 0.047314 O\n0.402147 0.066117 0.547314 O\n0.902147 0.433883 0.452686 O\n0.933883 0.047314 0.097853 O\n0.066117 0.547314 0.402147 O\n0.566117 0.952686 0.597853 O\n0.433883 0.452686 0.902147 O\n0.047314 0.097853 0.933883 O\n0.547314 0.402147 0.066117 O\n0.952686 0.597853 0.566117 O\n0.452686 0.902147 0.433883 O\n0.573362 0.757009 0.328077 O\n0.426638 0.257009 0.171923 O\n0.257009 0.171923 0.426638 O\n0.742991 0.671923 0.073362 O\n0.671923 0.073362 0.742991 O\n0.328077 0.573362 0.757009 O\n0.073362 0.742991 0.671923 O\n0.926638 0.242991 0.828077 O\n0.757009 0.328077 0.573362 O\n0.242991 0.828077 0.926638 O\n0.171923 0.426638 0.257009 O\n0.828077 0.926638 0.242991 O\n0.492991 0.676638 0.921923 O\n0.992991 0.823362 0.078077 O\n0.507009 0.176638 0.578077 O\n0.007009 0.323362 0.421923 O\n0.823362 0.078077 0.992991 O\n0.176638 0.578077 0.507009 O\n0.676638 0.921923 0.492991 O\n0.323362 0.421923 0.007009 O\n0.078077 0.992991 0.823362 O\n0.578077 0.507009 0.176638 O\n0.921923 0.492991 0.676638 O\n0.421923 0.007009 0.323362 O\n0.575451 0.621037 0.406515 O\n0.424549 0.121037 0.093485 O\n0.121037 0.093485 0.424549 O\n0.878963 0.593485 0.075451 O\n0.593485 0.075451 0.878963 O\n0.406515 0.575451 0.621037 O\n0.075451 0.878963 0.593485 O\n0.924549 0.378963 0.906515 O\n0.621037 0.406515 0.575451 O\n0.378963 0.906515 0.924549 O\n0.093485 0.424549 0.121037 O\n0.906515 0.924549 0.378963 O\n0.628963 0.674549 0.843485 O\n0.128963 0.825451 0.156515 O\n0.371037 0.174549 0.656515 O\n0.871037 0.325451 0.343485 O\n0.825451 0.156515 0.128963 O\n0.174549 0.656515 0.371037 O\n0.674549 0.843485 0.628963 O\n0.325451 0.343485 0.871037 O\n0.156515 0.128963 0.825451 O\n0.656515 0.371037 0.174549 O\n0.843485 0.628963 0.674549 O\n0.343485 0.871037 0.325451 O\n",
            "nsites": 164,
            "nelements": 3,
            "elements": [
                "Pr",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Pr",
            "density": 2.1551423988602685,
            "density_atomic": 0.06033946887515749,
            "volume": 2717.955644245335,
            "volume_molar": 9.98043382261091,
            "formula_full": "Pr8 N48 O108",
            "formula_reduced": "Pr2(N4O9)3",
            "formula_anonymous": "A2B12C27",
            "energy": -1085.16704549,
            "energy_per_atom": -6.616872228597561,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1010.97104549,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 38.5952915,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:17.782000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-1195449",
            "created_at": "2022-09-04T14:44:48.008187Z",
            "structure_string": "Rb14 Nd22 Te24 Br32 O72\n1.0\n-16.314767 0.000000 0.000000\n-0.000000 16.314767 0.000000\n8.157384 -8.157384 -13.453297\nRb Nd Te Br O\n14 22 24 32 72\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.382393 0.117607 -0.000000 Rb\n0.617607 0.882393 -0.000000 Rb\n0.117607 0.617607 1.000000 Rb\n0.882393 0.382393 0.000000 Rb\n0.377089 0.630666 0.000000 Rb\n0.622911 0.369334 1.000000 Rb\n0.122911 0.130666 0.000000 Rb\n0.877089 0.869334 1.000000 Rb\n0.369334 0.377089 1.000000 Rb\n0.630666 0.622911 0.000000 Rb\n0.869334 0.122911 1.000000 Rb\n0.130666 0.877089 0.000000 Rb\n0.750000 0.750000 0.500000 Nd\n0.250000 0.250000 0.500000 Nd\n0.516812 0.016812 0.278376 Nd\n0.761564 0.261564 0.278376 Nd\n0.261564 0.516812 0.278376 Nd\n0.016812 0.761564 0.278376 Nd\n0.483188 0.983188 0.721624 Nd\n0.238436 0.738436 0.721624 Nd\n0.738436 0.483188 0.721624 Nd\n0.983188 0.238436 0.721624 Nd\n0.750000 0.004493 0.500000 Nd\n0.750000 0.495507 0.500000 Nd\n0.250000 0.504493 0.500000 Nd\n0.250000 0.995507 0.500000 Nd\n0.495507 0.750000 0.500000 Nd\n0.004493 0.750000 0.500000 Nd\n0.995507 0.250000 0.500000 Nd\n0.504493 0.250000 0.500000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 0.500000 Nd\n0.536478 0.801345 0.317317 Te\n0.780839 0.515972 0.317317 Te\n0.280839 0.301345 0.317317 Te\n0.036478 0.015972 0.317317 Te\n0.515972 0.536478 0.317317 Te\n0.801345 0.780839 0.317317 Te\n0.015972 0.280839 0.317317 Te\n0.301345 0.036478 0.317317 Te\n0.463522 0.198655 0.682683 Te\n0.219161 0.484028 0.682683 Te\n0.719161 0.698655 0.682683 Te\n0.963522 0.984028 0.682683 Te\n0.484028 0.463522 0.682683 Te\n0.198655 0.219161 0.682683 Te\n0.984028 0.719161 0.682683 Te\n0.698655 0.963522 0.682683 Te\n0.711192 0.211192 0.659050 Te\n0.947858 0.447858 0.659050 Te\n0.447858 0.711192 0.659050 Te\n0.211192 0.947858 0.659050 Te\n0.288808 0.788808 0.340950 Te\n0.052142 0.552142 0.340950 Te\n0.552142 0.288808 0.340950 Te\n0.788808 0.052142 0.340950 Te\n0.581754 0.081754 0.163508 Br\n0.081754 0.581754 0.163508 Br\n0.418246 0.918246 0.836492 Br\n0.918246 0.418246 0.836492 Br\n0.572493 0.835311 0.156630 Br\n0.584137 0.321319 0.156630 Br\n0.084137 0.335311 0.156630 Br\n0.072493 0.821319 0.156630 Br\n0.321319 0.572493 0.156630 Br\n0.835311 0.584137 0.156630 Br\n0.821319 0.084137 0.156630 Br\n0.335311 0.072493 0.156630 Br\n0.427507 0.164689 0.843370 Br\n0.415863 0.678681 0.843370 Br\n0.915863 0.664689 0.843370 Br\n0.927507 0.178681 0.843370 Br\n0.678681 0.427507 0.843370 Br\n0.164689 0.415863 0.843370 Br\n0.178681 0.915863 0.843370 Br\n0.664689 0.927507 0.843370 Br\n0.579023 0.579023 0.158046 Br\n0.079023 0.079023 0.158046 Br\n0.420977 0.420977 0.841954 Br\n0.920977 0.920977 0.841954 Br\n0.334582 0.834582 0.160904 Br\n0.826321 0.326321 0.160904 Br\n0.326321 0.334582 0.160904 Br\n0.834582 0.826321 0.160904 Br\n0.665418 0.165418 0.839096 Br\n0.173679 0.673679 0.839096 Br\n0.673679 0.665418 0.839096 Br\n0.165418 0.173679 0.839096 Br\n0.559380 0.937467 0.369876 O\n0.810496 0.432409 0.369876 O\n0.310496 0.437467 0.369876 O\n0.059380 0.932409 0.369876 O\n0.432409 0.559380 0.369876 O\n0.937467 0.810496 0.369876 O\n0.932409 0.310496 0.369876 O\n0.437467 0.059380 0.369876 O\n0.440620 0.062533 0.630124 O\n0.189504 0.567591 0.630124 O\n0.689504 0.562533 0.630124 O\n0.940620 0.067591 0.630124 O\n0.567591 0.440620 0.630124 O\n0.062533 0.189504 0.630124 O\n0.067591 0.689504 0.630124 O\n0.562533 0.940620 0.630124 O\n0.669869 0.824895 0.402989 O\n0.733120 0.578094 0.402989 O\n0.233120 0.324895 0.402989 O\n0.169869 0.078094 0.402989 O\n0.578094 0.669869 0.402989 O\n0.824895 0.733120 0.402989 O\n0.078094 0.233120 0.402989 O\n0.324895 0.169869 0.402989 O\n0.330131 0.175105 0.597011 O\n0.266880 0.421906 0.597011 O\n0.766880 0.675105 0.597011 O\n0.830131 0.921906 0.597011 O\n0.421906 0.330131 0.597011 O\n0.175105 0.266880 0.597011 O\n0.921906 0.766880 0.597011 O\n0.675105 0.830131 0.597011 O\n0.812566 0.182047 0.632114 O\n0.819547 0.450066 0.632114 O\n0.319547 0.682047 0.632114 O\n0.312566 0.950066 0.632114 O\n0.450066 0.812566 0.632114 O\n0.182047 0.819547 0.632114 O\n0.950066 0.319547 0.632114 O\n0.682047 0.312566 0.632114 O\n0.187434 0.817953 0.367886 O\n0.180453 0.549934 0.367886 O\n0.680453 0.317953 0.367886 O\n0.687434 0.049934 0.367886 O\n0.549934 0.187434 0.367886 O\n0.817953 0.180453 0.367886 O\n0.049934 0.680453 0.367886 O\n0.317953 0.687434 0.367886 O\n0.486862 0.821161 0.402022 O\n0.915160 0.580862 0.402022 O\n0.415160 0.321161 0.402022 O\n0.986862 0.080862 0.402022 O\n0.580862 0.486862 0.402022 O\n0.821161 0.915160 0.402022 O\n0.080862 0.415160 0.402022 O\n0.321161 0.986862 0.402022 O\n0.513138 0.178839 0.597978 O\n0.084840 0.419138 0.597978 O\n0.584840 0.678839 0.597978 O\n0.013138 0.919138 0.597978 O\n0.419138 0.513138 0.597978 O\n0.178839 0.084840 0.597978 O\n0.919138 0.584840 0.597978 O\n0.678839 0.013138 0.597978 O\n0.621452 0.121452 0.522583 O\n0.901132 0.401132 0.522583 O\n0.401132 0.621452 0.522583 O\n0.121452 0.901132 0.522583 O\n0.378548 0.878548 0.477417 O\n0.098868 0.598868 0.477417 O\n0.598868 0.378548 0.477417 O\n0.878548 0.098868 0.477417 O\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "Rb",
                "Nd",
                "Te",
                "Br",
                "O"
            ],
            "chemical_system": "Br-Nd-O-Rb-Te",
            "density": 5.166410963223149,
            "density_atomic": 0.04579872276353485,
            "volume": 3580.8858872932924,
            "volume_molar": 13.14914564559616,
            "formula_full": "Rb14 Nd22 Te24 Br32 O72",
            "formula_reduced": "Rb7Nd11Te12(Br4O9)4",
            "formula_anonymous": "A7B11C12D16E36",
            "energy": -994.5970351,
            "energy_per_atom": -6.064616067682927,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -928.0450351,
            "band_gap": 3.1181,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:42.715000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-649470",
            "created_at": "2022-09-04T14:44:53.298861Z",
            "structure_string": "K12 Nd8 N36 O108\n1.0\n13.710116 0.000000 0.000000\n0.000000 13.710116 0.000000\n0.000000 0.000000 13.710116\nK Nd N O\n12 8 36 108\ndirect\n0.875000 0.811816 0.561816 K\n0.438184 0.375000 0.688184 K\n0.375000 0.688184 0.438184 K\n0.311816 0.938184 0.125000 K\n0.561816 0.875000 0.811816 K\n0.188184 0.061816 0.625000 K\n0.061816 0.625000 0.188184 K\n0.125000 0.311816 0.938184 K\n0.688184 0.438184 0.375000 K\n0.625000 0.188184 0.061816 K\n0.811816 0.561816 0.875000 K\n0.938184 0.125000 0.311816 K\n0.050108 0.449892 0.550108 Nd\n0.550108 0.050108 0.449892 Nd\n0.449892 0.550108 0.050108 Nd\n0.300108 0.300108 0.300108 Nd\n0.949892 0.949892 0.949892 Nd\n0.800108 0.199892 0.699892 Nd\n0.199892 0.699892 0.800108 Nd\n0.699892 0.800108 0.199892 Nd\n0.098635 0.086681 0.861156 N\n0.401365 0.913319 0.361156 N\n0.901365 0.586681 0.638844 N\n0.413319 0.138844 0.598635 N\n0.486154 0.763846 0.125000 N\n0.875000 0.986154 0.736154 N\n0.111156 0.836681 0.651365 N\n0.388844 0.163319 0.151365 N\n0.651365 0.111156 0.836681 N\n0.163319 0.151365 0.388844 N\n0.611156 0.663319 0.348635 N\n0.836681 0.651365 0.111156 N\n0.736154 0.875000 0.986154 N\n0.086681 0.861156 0.098635 N\n0.375000 0.513846 0.263846 N\n0.986154 0.736154 0.875000 N\n0.263846 0.375000 0.513846 N\n0.361156 0.401365 0.913319 N\n0.913319 0.361156 0.401365 N\n0.888844 0.336681 0.848635 N\n0.236154 0.625000 0.013846 N\n0.763846 0.125000 0.486154 N\n0.598635 0.413319 0.138844 N\n0.625000 0.013846 0.236154 N\n0.513846 0.263846 0.375000 N\n0.861156 0.098635 0.086681 N\n0.013846 0.236154 0.625000 N\n0.125000 0.486154 0.763846 N\n0.138844 0.598635 0.413319 N\n0.336681 0.848635 0.888844 N\n0.638844 0.901365 0.586681 N\n0.848635 0.888844 0.336681 N\n0.663319 0.348635 0.611156 N\n0.348635 0.611156 0.663319 N\n0.151365 0.388844 0.163319 N\n0.586681 0.638844 0.901365 N\n0.502563 0.675078 0.918822 O\n0.992548 0.153101 0.656906 O\n0.197216 0.375000 0.447216 O\n0.140403 0.197823 0.310998 O\n0.408029 0.572526 0.606287 O\n0.091971 0.427474 0.106287 O\n0.846899 0.156906 0.507452 O\n0.596899 0.242548 0.406906 O\n0.947823 0.609597 0.560998 O\n0.310998 0.140403 0.197823 O\n0.060998 0.552177 0.390403 O\n0.331178 0.574922 0.747437 O\n0.177474 0.658029 0.356287 O\n0.810998 0.359597 0.802177 O\n0.052177 0.109597 0.939002 O\n0.175078 0.581178 0.497437 O\n0.802177 0.810998 0.359597 O\n0.492548 0.346899 0.343094 O\n0.843094 0.007452 0.653101 O\n0.841971 0.643713 0.677474 O\n0.052784 0.802784 0.875000 O\n0.158029 0.143713 0.822526 O\n0.302784 0.625000 0.947216 O\n0.822526 0.158029 0.143713 O\n0.689002 0.640403 0.302177 O\n0.609597 0.560998 0.947823 O\n0.560998 0.947823 0.609597 O\n0.831178 0.925078 0.252563 O\n0.802784 0.875000 0.052784 O\n0.927474 0.393713 0.908029 O\n0.507452 0.846899 0.156906 O\n0.893713 0.591971 0.072526 O\n0.497437 0.175078 0.581178 O\n0.447216 0.197216 0.375000 O\n0.572526 0.606287 0.408029 O\n0.742548 0.093094 0.403101 O\n0.106287 0.091971 0.427474 O\n0.257452 0.593094 0.096899 O\n0.918822 0.502563 0.675078 O\n0.593094 0.096899 0.257452 O\n0.697823 0.189002 0.859597 O\n0.947216 0.302784 0.625000 O\n0.346899 0.343094 0.492548 O\n0.552784 0.697216 0.125000 O\n0.925078 0.252563 0.831178 O\n0.096899 0.257452 0.593094 O\n0.906906 0.903101 0.757452 O\n0.406906 0.596899 0.242548 O\n0.322526 0.341971 0.856287 O\n0.640403 0.302177 0.689002 O\n0.752563 0.668822 0.074922 O\n0.625000 0.947216 0.302784 O\n0.242548 0.406906 0.596899 O\n0.081178 0.002563 0.824922 O\n0.153101 0.656906 0.992548 O\n0.143713 0.822526 0.158029 O\n0.856287 0.322526 0.341971 O\n0.156906 0.507452 0.846899 O\n0.591971 0.072526 0.893713 O\n0.072526 0.893713 0.591971 O\n0.658029 0.356287 0.177474 O\n0.403101 0.742548 0.093094 O\n0.668822 0.074922 0.752563 O\n0.252563 0.831178 0.925078 O\n0.197823 0.310998 0.140403 O\n0.939002 0.052177 0.109597 O\n0.302177 0.689002 0.640403 O\n0.447823 0.890403 0.439002 O\n0.074922 0.752563 0.668822 O\n0.359597 0.802177 0.810998 O\n0.824922 0.081178 0.002563 O\n0.341971 0.856287 0.322526 O\n0.606287 0.408029 0.572526 O\n0.581178 0.497437 0.175078 O\n0.390403 0.060998 0.552177 O\n0.643713 0.677474 0.841971 O\n0.125000 0.552784 0.697216 O\n0.393713 0.908029 0.927474 O\n0.425078 0.247437 0.168822 O\n0.418822 0.997437 0.324922 O\n0.656906 0.992548 0.153101 O\n0.109597 0.939002 0.052177 O\n0.908029 0.927474 0.393713 O\n0.757452 0.906906 0.903101 O\n0.574922 0.747437 0.331178 O\n0.997437 0.324922 0.418822 O\n0.324922 0.418822 0.997437 O\n0.903101 0.757452 0.906906 O\n0.677474 0.841971 0.643713 O\n0.427474 0.106287 0.091971 O\n0.007452 0.653101 0.843094 O\n0.002563 0.824922 0.081178 O\n0.675078 0.918822 0.502563 O\n0.168822 0.425078 0.247437 O\n0.343094 0.492548 0.346899 O\n0.653101 0.843094 0.007452 O\n0.247437 0.168822 0.425078 O\n0.375000 0.447216 0.197216 O\n0.189002 0.859597 0.697823 O\n0.875000 0.052784 0.802784 O\n0.552177 0.390403 0.060998 O\n0.890403 0.439002 0.447823 O\n0.439002 0.447823 0.890403 O\n0.093094 0.403101 0.742548 O\n0.697216 0.125000 0.552784 O\n0.747437 0.331178 0.574922 O\n0.356287 0.177474 0.658029 O\n0.859597 0.697823 0.189002 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "K",
                "Nd",
                "N",
                "O"
            ],
            "chemical_system": "K-N-Nd-O",
            "density": 2.484179574509619,
            "density_atomic": 0.06363857701209999,
            "volume": 2577.0532230602466,
            "volume_molar": 9.463034911756393,
            "formula_full": "K12 Nd8 N36 O108",
            "formula_reduced": "K3Nd2(NO3)9",
            "formula_anonymous": "A2B3C9D27",
            "energy": -1126.97060767,
            "energy_per_atom": -6.871771997987804,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1052.77460767,
            "band_gap": 3.3546,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0026637,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.839000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-649608",
            "created_at": "2022-09-04T14:44:19.719374Z",
            "structure_string": "K12 Pr8 N36 O108\n1.0\n13.682554 0.000000 0.000000\n0.000000 13.682554 0.000000\n0.000000 0.000000 13.682554\nK Pr N O\n12 8 36 108\ndirect\n0.811641 0.561641 0.875000 K\n0.625000 0.188359 0.061641 K\n0.438359 0.375000 0.688359 K\n0.061641 0.625000 0.188359 K\n0.125000 0.311641 0.938359 K\n0.688359 0.438359 0.375000 K\n0.188359 0.061641 0.625000 K\n0.938359 0.125000 0.311641 K\n0.375000 0.688359 0.438359 K\n0.311641 0.938359 0.125000 K\n0.875000 0.811641 0.561641 K\n0.561641 0.875000 0.811641 K\n0.049432 0.450568 0.549432 Pr\n0.200568 0.700568 0.799432 Pr\n0.700568 0.799432 0.200568 Pr\n0.799432 0.200568 0.700568 Pr\n0.950568 0.950568 0.950568 Pr\n0.299432 0.299432 0.299432 Pr\n0.450568 0.549432 0.049432 Pr\n0.549432 0.049432 0.450568 Pr\n0.486200 0.763800 0.125000 N\n0.111501 0.836612 0.648742 N\n0.875000 0.986200 0.736200 N\n0.125000 0.486200 0.763800 N\n0.351258 0.611501 0.663388 N\n0.013800 0.236200 0.625000 N\n0.388499 0.163388 0.148742 N\n0.638499 0.898742 0.586612 N\n0.601258 0.413388 0.138499 N\n0.986200 0.736200 0.875000 N\n0.611501 0.663388 0.351258 N\n0.148742 0.388499 0.163388 N\n0.513800 0.263800 0.375000 N\n0.851258 0.888499 0.336612 N\n0.763800 0.125000 0.486200 N\n0.861501 0.101258 0.086612 N\n0.375000 0.513800 0.263800 N\n0.625000 0.013800 0.236200 N\n0.836612 0.648742 0.111501 N\n0.236200 0.625000 0.013800 N\n0.413388 0.138499 0.601258 N\n0.648742 0.111501 0.836612 N\n0.888499 0.336612 0.851258 N\n0.163388 0.148742 0.388499 N\n0.101258 0.086612 0.861501 N\n0.086612 0.861501 0.101258 N\n0.263800 0.375000 0.513800 N\n0.398742 0.913388 0.361501 N\n0.898742 0.586612 0.638499 N\n0.586612 0.638499 0.898742 N\n0.663388 0.351258 0.611501 N\n0.361501 0.398742 0.913388 N\n0.736200 0.875000 0.986200 N\n0.336612 0.851258 0.888499 N\n0.138499 0.601258 0.413388 N\n0.913388 0.361501 0.398742 N\n0.002354 0.824988 0.083402 O\n0.166598 0.425012 0.247646 O\n0.375000 0.446880 0.196880 O\n0.088907 0.426798 0.106561 O\n0.946880 0.303120 0.625000 O\n0.341954 0.492708 0.346586 O\n0.497646 0.175012 0.583402 O\n0.338907 0.856561 0.323202 O\n0.073202 0.893439 0.588907 O\n0.359756 0.804671 0.810339 O\n0.153414 0.658046 0.992708 O\n0.696880 0.125000 0.553120 O\n0.803120 0.875000 0.053120 O\n0.109756 0.939661 0.054671 O\n0.752354 0.666598 0.074988 O\n0.747646 0.333402 0.574988 O\n0.323202 0.338907 0.856561 O\n0.653414 0.841954 0.007292 O\n0.695329 0.189661 0.859756 O\n0.841954 0.007292 0.653414 O\n0.926798 0.393439 0.911093 O\n0.833402 0.925012 0.252354 O\n0.492708 0.346586 0.341954 O\n0.804671 0.810339 0.359756 O\n0.916598 0.502354 0.675012 O\n0.257292 0.591954 0.096586 O\n0.189661 0.859756 0.695329 O\n0.757292 0.908046 0.903414 O\n0.195329 0.310339 0.140244 O\n0.554671 0.390244 0.060339 O\n0.310339 0.140244 0.195329 O\n0.416598 0.997646 0.324988 O\n0.074988 0.752354 0.666598 O\n0.411093 0.573202 0.606561 O\n0.838907 0.643439 0.676798 O\n0.666598 0.074988 0.752354 O\n0.091954 0.403414 0.742708 O\n0.676798 0.838907 0.643439 O\n0.574988 0.747646 0.333402 O\n0.824988 0.083402 0.002354 O\n0.175012 0.583402 0.497646 O\n0.143439 0.823202 0.161093 O\n0.303120 0.625000 0.946880 O\n0.390244 0.060339 0.554671 O\n0.507292 0.846586 0.158046 O\n0.661093 0.356561 0.176798 O\n0.742708 0.091954 0.403414 O\n0.625000 0.946880 0.303120 O\n0.689661 0.640244 0.304671 O\n0.333402 0.574988 0.747646 O\n0.893439 0.588907 0.073202 O\n0.196880 0.375000 0.446880 O\n0.908046 0.903414 0.757292 O\n0.643439 0.676798 0.838907 O\n0.426798 0.106561 0.088907 O\n0.060339 0.554671 0.390244 O\n0.553120 0.696880 0.125000 O\n0.439661 0.445329 0.890244 O\n0.007292 0.653414 0.841954 O\n0.583402 0.497646 0.175012 O\n0.992708 0.153414 0.658046 O\n0.945329 0.609756 0.560339 O\n0.346586 0.341954 0.492708 O\n0.083402 0.002354 0.824988 O\n0.096586 0.257292 0.591954 O\n0.242708 0.408046 0.596586 O\n0.939661 0.054671 0.109756 O\n0.446880 0.196880 0.375000 O\n0.846586 0.158046 0.507292 O\n0.324988 0.416598 0.997646 O\n0.502354 0.675012 0.916598 O\n0.408046 0.596586 0.242708 O\n0.560339 0.945329 0.609756 O\n0.393439 0.911093 0.926798 O\n0.856561 0.323202 0.338907 O\n0.875000 0.053120 0.803120 O\n0.596586 0.242708 0.408046 O\n0.053120 0.803120 0.875000 O\n0.140244 0.195329 0.310339 O\n0.573202 0.606561 0.411093 O\n0.445329 0.890244 0.439661 O\n0.925012 0.252354 0.833402 O\n0.158046 0.507292 0.846586 O\n0.247646 0.166598 0.425012 O\n0.890244 0.439661 0.445329 O\n0.911093 0.926798 0.393439 O\n0.054671 0.109756 0.939661 O\n0.823202 0.161093 0.143439 O\n0.425012 0.247646 0.166598 O\n0.304671 0.689661 0.640244 O\n0.859756 0.695329 0.189661 O\n0.997646 0.324988 0.416598 O\n0.356561 0.176798 0.661093 O\n0.125000 0.553120 0.696880 O\n0.161093 0.143439 0.823202 O\n0.658046 0.992708 0.153414 O\n0.675012 0.916598 0.502354 O\n0.591954 0.096586 0.257292 O\n0.606561 0.411093 0.573202 O\n0.106561 0.088907 0.426798 O\n0.403414 0.742708 0.091954 O\n0.810339 0.359756 0.804671 O\n0.903414 0.757292 0.908046 O\n0.588907 0.073202 0.893439 O\n0.252354 0.833402 0.925012 O\n0.176798 0.661093 0.356561 O\n0.640244 0.304671 0.689661 O\n0.609756 0.560339 0.945329 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "K",
                "Pr",
                "N",
                "O"
            ],
            "chemical_system": "K-N-O-Pr",
            "density": 2.481930014433085,
            "density_atomic": 0.06402393096395774,
            "volume": 2561.542184785932,
            "volume_molar": 9.406077804548055,
            "formula_full": "K12 Pr8 N36 O108",
            "formula_reduced": "K3Pr2(NO3)9",
            "formula_anonymous": "A2B3C9D27",
            "energy": -1127.06435389,
            "energy_per_atom": -6.872343621280487,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1052.86835389,
            "band_gap": 3.33,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013271,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:34.334000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-720287",
            "created_at": "2022-09-04T14:43:07.839304Z",
            "structure_string": "Na12 As4 H88 S8 O52\n1.0\n9.686957 0.000000 0.000000\n0.000000 12.634451 0.000000\n0.000000 0.000000 14.326700\nNa As H S O\n12 4 88 8 52\ndirect\n0.504548 0.729329 0.095546 Na\n0.995452 0.229329 0.404454 Na\n0.495452 0.270671 0.595546 Na\n0.004548 0.770671 0.904454 Na\n0.495452 0.270671 0.904454 Na\n0.004548 0.770671 0.595546 Na\n0.504548 0.729329 0.404454 Na\n0.995452 0.229329 0.095546 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.462803 0.087818 0.250000 As\n0.037197 0.587818 0.250000 As\n0.537197 0.912182 0.750000 As\n0.962803 0.412182 0.750000 As\n0.285152 0.562889 0.144087 H\n0.214848 0.062889 0.355913 H\n0.714848 0.437111 0.644087 H\n0.785152 0.937111 0.855913 H\n0.714848 0.437111 0.855913 H\n0.785152 0.937111 0.644087 H\n0.285152 0.562889 0.355913 H\n0.214848 0.062889 0.144087 H\n0.426368 0.517189 0.180407 H\n0.073632 0.017189 0.319593 H\n0.573632 0.482811 0.680407 H\n0.926368 0.982811 0.819593 H\n0.573632 0.482811 0.819593 H\n0.926368 0.982811 0.680407 H\n0.426368 0.517189 0.319593 H\n0.073632 0.017189 0.180407 H\n0.309277 0.668589 0.550060 H\n0.190723 0.168589 0.949940 H\n0.690723 0.331411 0.050060 H\n0.809277 0.831411 0.449940 H\n0.690723 0.331411 0.449940 H\n0.809277 0.831411 0.050060 H\n0.309277 0.668589 0.949940 H\n0.190723 0.168589 0.550060 H\n0.438299 0.697767 0.614540 H\n0.061701 0.197767 0.885460 H\n0.561701 0.302233 0.114540 H\n0.938299 0.802233 0.385460 H\n0.561701 0.302233 0.385460 H\n0.938299 0.802233 0.114540 H\n0.438299 0.697767 0.885460 H\n0.061701 0.197767 0.614540 H\n0.382530 0.063368 0.563859 H\n0.117470 0.563368 0.936141 H\n0.617470 0.936632 0.063859 H\n0.882530 0.436632 0.436141 H\n0.617470 0.936632 0.436141 H\n0.882530 0.436632 0.063859 H\n0.382530 0.063368 0.936141 H\n0.117470 0.563368 0.563859 H\n0.390329 0.098069 0.458286 H\n0.109671 0.598069 0.041714 H\n0.609671 0.901931 0.958286 H\n0.890329 0.401931 0.541714 H\n0.609671 0.901931 0.541714 H\n0.890329 0.401931 0.958286 H\n0.390329 0.098069 0.041714 H\n0.109671 0.598069 0.458286 H\n0.234852 0.812606 0.159189 H\n0.265148 0.312606 0.340811 H\n0.765148 0.187394 0.659189 H\n0.734852 0.687394 0.840811 H\n0.765148 0.187394 0.840811 H\n0.734852 0.687394 0.659189 H\n0.234852 0.812606 0.340811 H\n0.265148 0.312606 0.159189 H\n0.336958 0.910845 0.139909 H\n0.163042 0.410845 0.360091 H\n0.663042 0.089155 0.639909 H\n0.836958 0.589155 0.860091 H\n0.663042 0.089155 0.860091 H\n0.836958 0.589155 0.639909 H\n0.336958 0.910845 0.360091 H\n0.163042 0.410845 0.139909 H\n0.258673 0.367656 0.493421 H\n0.241327 0.867656 0.006579 H\n0.741327 0.632344 0.993421 H\n0.758673 0.132344 0.506579 H\n0.741327 0.632344 0.506579 H\n0.758673 0.132344 0.993421 H\n0.258673 0.367656 0.006579 H\n0.241327 0.867656 0.493421 H\n0.248003 0.408877 0.599693 H\n0.251997 0.908877 0.900307 H\n0.751997 0.591123 0.099693 H\n0.748003 0.091123 0.400307 H\n0.751997 0.591123 0.400307 H\n0.748003 0.091123 0.099693 H\n0.248003 0.408877 0.900307 H\n0.251997 0.908877 0.599693 H\n0.343704 0.168902 0.750000 H\n0.156296 0.668902 0.750000 H\n0.656296 0.831098 0.250000 H\n0.843704 0.331098 0.250000 H\n0.292926 0.288031 0.750000 H\n0.207074 0.788031 0.750000 H\n0.707074 0.711969 0.250000 H\n0.792926 0.211969 0.250000 H\n0.458082 0.261385 0.250000 S\n0.041918 0.761385 0.250000 S\n0.541918 0.738615 0.750000 S\n0.958082 0.238615 0.750000 S\n0.825870 0.527576 0.250000 S\n0.674130 0.027576 0.250000 S\n0.174130 0.472424 0.750000 S\n0.325870 0.972424 0.750000 S\n0.378101 0.040052 0.151844 O\n0.121899 0.540052 0.348156 O\n0.621899 0.959948 0.651844 O\n0.878101 0.459948 0.848156 O\n0.621899 0.959948 0.848156 O\n0.878101 0.459948 0.651844 O\n0.378101 0.040052 0.348156 O\n0.121899 0.540052 0.151844 O\n0.389535 0.566528 0.134977 O\n0.110465 0.066528 0.365023 O\n0.610465 0.433472 0.634977 O\n0.889535 0.933472 0.865023 O\n0.610465 0.433472 0.865023 O\n0.889535 0.933472 0.634977 O\n0.389535 0.566528 0.365023 O\n0.110465 0.066528 0.134977 O\n0.410980 0.667657 0.553663 O\n0.089020 0.167657 0.946337 O\n0.589020 0.332343 0.053663 O\n0.910980 0.832343 0.446337 O\n0.589020 0.332343 0.446337 O\n0.910980 0.832343 0.053663 O\n0.410980 0.667657 0.946337 O\n0.089020 0.167657 0.553663 O\n0.378682 0.125535 0.523628 O\n0.121318 0.625535 0.976372 O\n0.621318 0.874465 0.023628 O\n0.878682 0.374465 0.476372 O\n0.621318 0.874465 0.476372 O\n0.878682 0.374465 0.023628 O\n0.378682 0.125535 0.976372 O\n0.121318 0.625535 0.523628 O\n0.308792 0.838409 0.117664 O\n0.191208 0.338409 0.382336 O\n0.691208 0.161591 0.617664 O\n0.808792 0.661591 0.882336 O\n0.691208 0.161591 0.882336 O\n0.808792 0.661591 0.617664 O\n0.308792 0.838409 0.382336 O\n0.191208 0.338409 0.117664 O\n0.312372 0.388485 0.549803 O\n0.187628 0.888485 0.950197 O\n0.687628 0.611515 0.049803 O\n0.812372 0.111515 0.450197 O\n0.687628 0.611515 0.450197 O\n0.812372 0.111515 0.049803 O\n0.312372 0.388485 0.950197 O\n0.187628 0.888485 0.549803 O\n0.624146 0.757055 0.250000 O\n0.875854 0.257055 0.250000 O\n0.375854 0.242945 0.750000 O\n0.124146 0.742945 0.750000 O\n",
            "nsites": 164,
            "nelements": 5,
            "elements": [
                "Na",
                "As",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "As-H-Na-O-S",
            "density": 1.6598905188204307,
            "density_atomic": 0.09353064596653012,
            "volume": 1753.435981386115,
            "volume_molar": 6.438681886314588,
            "formula_full": "Na12 As4 H88 S8 O52",
            "formula_reduced": "Na3AsH22S2O13",
            "formula_anonymous": "AB2C3D13E22",
            "energy": -838.67320729,
            "energy_per_atom": -5.113861020060976,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -798.92520729,
            "band_gap": 3.0169,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.474000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-607785",
            "created_at": "2022-09-04T14:46:24.275987Z",
            "structure_string": "Rb12 Li2 Nd22 Se24 Cl32 O72\n1.0\n-8.009616 8.009616 12.578987\n8.009616 -8.009616 12.578987\n8.009616 8.009616 -12.578987\nRb Li Nd Se Cl O\n12 2 22 24 32 72\ndirect\n0.629666 0.620258 0.249924 Rb\n0.379742 0.629666 0.009407 Rb\n0.876655 0.376655 0.253309 Rb\n0.123345 0.623345 0.746691 Rb\n0.623345 0.876655 0.500000 Rb\n0.870334 0.120258 0.990593 Rb\n0.620258 0.370334 0.990593 Rb\n0.129666 0.879742 0.009407 Rb\n0.120258 0.129666 0.249924 Rb\n0.370334 0.379742 0.750076 Rb\n0.879742 0.870334 0.750076 Rb\n0.376655 0.123345 0.500000 Rb\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.996679 0.254160 0.500000 Nd\n0.254160 0.754160 0.257480 Nd\n0.250000 0.507048 0.257048 Nd\n0.250000 0.250000 0.000000 Nd\n0.007048 0.750000 0.257048 Nd\n0.500000 0.000000 0.000000 Nd\n0.503321 0.003321 0.257480 Nd\n0.000000 0.000000 0.500000 Nd\n0.245840 0.503321 0.500000 Nd\n0.750000 0.492952 0.742952 Nd\n0.992952 0.250000 0.742952 Nd\n0.250000 0.992952 0.742952 Nd\n0.745840 0.245840 0.742520 Nd\n0.750000 0.750000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.754160 0.496679 0.500000 Nd\n0.750000 0.007048 0.257048 Nd\n0.003321 0.745840 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.496679 0.996679 0.742520 Nd\n0.492952 0.750000 0.742952 Nd\n0.507048 0.250000 0.257048 Nd\n0.779406 0.063769 0.500000 Se\n0.010741 0.281683 0.972030 Se\n0.279406 0.779406 0.715637 Se\n0.936231 0.436231 0.715637 Se\n0.961289 0.989259 0.270943 Se\n0.809653 0.781683 0.270943 Se\n0.218317 0.489259 0.027970 Se\n0.461289 0.190347 0.972030 Se\n0.720594 0.220594 0.284363 Se\n0.038711 0.010741 0.729057 Se\n0.190347 0.218317 0.729057 Se\n0.989259 0.718317 0.027970 Se\n0.436231 0.720594 0.500000 Se\n0.510741 0.538711 0.729057 Se\n0.489259 0.461289 0.270943 Se\n0.220594 0.936231 0.500000 Se\n0.309653 0.038711 0.027970 Se\n0.690347 0.961289 0.972030 Se\n0.538711 0.809653 0.027970 Se\n0.281683 0.309653 0.270943 Se\n0.718317 0.690347 0.729057 Se\n0.781683 0.510741 0.972030 Se\n0.563769 0.279406 0.500000 Se\n0.063769 0.563769 0.284363 Se\n0.815624 0.315624 0.977786 Cl\n0.423422 0.923422 0.500000 Cl\n0.422761 0.422761 0.000000 Cl\n0.837838 0.815624 0.500000 Cl\n0.576578 0.076578 0.500000 Cl\n0.690585 0.432579 0.273489 Cl\n0.432579 0.159090 0.741993 Cl\n0.162162 0.184376 0.500000 Cl\n0.577239 0.577239 0.000000 Cl\n0.922761 0.922761 0.000000 Cl\n0.662162 0.162162 0.977786 Cl\n0.076578 0.576578 0.500000 Cl\n0.184376 0.684376 0.022214 Cl\n0.417097 0.690585 0.258007 Cl\n0.917097 0.659090 0.726511 Cl\n0.077239 0.077239 0.000000 Cl\n0.567421 0.840910 0.258007 Cl\n0.840910 0.582903 0.273489 Cl\n0.582903 0.309415 0.741993 Cl\n0.340910 0.067421 0.258007 Cl\n0.190585 0.917097 0.258007 Cl\n0.659090 0.932579 0.741993 Cl\n0.315624 0.337838 0.500000 Cl\n0.932579 0.190585 0.273489 Cl\n0.082903 0.340910 0.273489 Cl\n0.923422 0.423422 0.500000 Cl\n0.337838 0.837838 0.022214 Cl\n0.809415 0.082903 0.741993 Cl\n0.309415 0.567421 0.726511 Cl\n0.067421 0.809415 0.726511 Cl\n0.159090 0.417097 0.726511 Cl\n0.684376 0.662162 0.500000 Cl\n0.923084 0.594005 0.912765 O\n0.440992 0.063143 0.869586 O\n0.063857 0.683209 0.376229 O\n0.071405 0.693557 0.130414 O\n0.489682 0.818760 0.912765 O\n0.683209 0.306980 0.619352 O\n0.337982 0.175925 0.913055 O\n0.405995 0.318760 0.329079 O\n0.575074 0.662018 0.837943 O\n0.175925 0.262869 0.837943 O\n0.312372 0.936143 0.619352 O\n0.405292 0.625582 0.500000 O\n0.806443 0.428595 0.869586 O\n0.063143 0.193557 0.622152 O\n0.559008 0.936857 0.130414 O\n0.905995 0.576916 0.087235 O\n0.262869 0.424926 0.086945 O\n0.187628 0.806980 0.623771 O\n0.237131 0.324075 0.162057 O\n0.625582 0.125582 0.220290 O\n0.662018 0.824075 0.086945 O\n0.594005 0.681240 0.670921 O\n0.075074 0.237131 0.913055 O\n0.436143 0.812372 0.619352 O\n0.737131 0.575074 0.913055 O\n0.510318 0.181240 0.087235 O\n0.316791 0.693020 0.380648 O\n0.874418 0.094708 0.500000 O\n0.837982 0.924926 0.162057 O\n0.076916 0.405995 0.087235 O\n0.576916 0.489682 0.670921 O\n0.693557 0.563143 0.622152 O\n0.594708 0.374418 0.500000 O\n0.928595 0.306443 0.869586 O\n0.094005 0.423084 0.912765 O\n0.306443 0.436857 0.377848 O\n0.693020 0.312372 0.376229 O\n0.424926 0.337982 0.162057 O\n0.936143 0.316791 0.623771 O\n0.675925 0.837982 0.913055 O\n0.094708 0.594708 0.220290 O\n0.436857 0.059008 0.130414 O\n0.193557 0.571405 0.130414 O\n0.905292 0.405292 0.779710 O\n0.318760 0.989682 0.912765 O\n0.681240 0.010318 0.087235 O\n0.818760 0.905995 0.329079 O\n0.936857 0.806443 0.377848 O\n0.762869 0.675925 0.837943 O\n0.687628 0.063857 0.380648 O\n0.816791 0.436143 0.623771 O\n0.324075 0.162018 0.086945 O\n0.563857 0.187628 0.380648 O\n0.306980 0.687628 0.623771 O\n0.183209 0.563857 0.376229 O\n0.940992 0.071405 0.377848 O\n0.563143 0.940992 0.869586 O\n0.571405 0.440992 0.377848 O\n0.824075 0.737131 0.162057 O\n0.125582 0.905292 0.500000 O\n0.812372 0.193020 0.376229 O\n0.193020 0.816791 0.380648 O\n0.806980 0.183209 0.619352 O\n0.374418 0.874418 0.779710 O\n0.010318 0.923084 0.329079 O\n0.428595 0.559008 0.622152 O\n0.181240 0.094005 0.670921 O\n0.059008 0.928595 0.622152 O\n0.989682 0.076916 0.670921 O\n0.924926 0.762869 0.086945 O\n0.162018 0.075074 0.837943 O\n0.423084 0.510318 0.329079 O\n",
            "nsites": 164,
            "nelements": 6,
            "elements": [
                "Rb",
                "Li",
                "Nd",
                "Se",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Li-Nd-O-Rb-Se",
            "density": 4.318224077698107,
            "density_atomic": 0.0508059758539529,
            "volume": 3227.9667350831955,
            "volume_molar": 11.853213443456484,
            "formula_full": "Rb12 Li2 Nd22 Se24 Cl32 O72",
            "formula_reduced": "Rb6LiNd11Se12(Cl4O9)4",
            "formula_anonymous": "AB6C11D12E16F36",
            "energy": -1010.28203955,
            "energy_per_atom": -6.160256338719512,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -941.17003955,
            "band_gap": 3.2922,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0072751,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:31.731000Z",
            "spacegroup": 140
        },
        {
            "id": "mp-1213357",
            "created_at": "2022-09-04T14:48:14.701660Z",
            "structure_string": "K12 Sm8 N36 O108\n1.0\n13.656647 0.000000 -0.000000\n0.000000 13.656647 -0.000000\n0.000000 0.000000 13.656647\nK Sm N O\n12 8 36 108\ndirect\n0.125000 0.188394 0.438394 K\n0.375000 0.811606 0.938394 K\n0.875000 0.688394 0.061606 K\n0.438394 0.125000 0.188394 K\n0.938394 0.375000 0.811606 K\n0.625000 0.311606 0.561606 K\n0.561606 0.625000 0.311606 K\n0.061606 0.875000 0.688394 K\n0.188394 0.438394 0.125000 K\n0.688394 0.061606 0.875000 K\n0.311606 0.561606 0.625000 K\n0.811606 0.938394 0.375000 K\n0.048467 0.048467 0.048467 Sm\n0.451533 0.951533 0.548467 Sm\n0.951533 0.548467 0.451533 Sm\n0.798467 0.298467 0.201533 Sm\n0.548467 0.451533 0.951533 Sm\n0.701533 0.701533 0.701533 Sm\n0.298467 0.201533 0.798467 Sm\n0.201533 0.798467 0.298467 Sm\n0.100370 0.415379 0.363748 N\n0.399630 0.584621 0.863748 N\n0.899630 0.915379 0.136252 N\n0.363748 0.100370 0.415379 N\n0.165379 0.350370 0.886252 N\n0.600370 0.084621 0.636252 N\n0.863748 0.399630 0.584621 N\n0.334621 0.649630 0.386252 N\n0.136252 0.899630 0.915379 N\n0.665379 0.149630 0.113748 N\n0.636252 0.600370 0.084621 N\n0.834621 0.850370 0.613748 N\n0.415379 0.363748 0.100370 N\n0.850370 0.613748 0.834621 N\n0.915379 0.136252 0.899630 N\n0.649630 0.386252 0.334621 N\n0.084621 0.636252 0.600370 N\n0.350370 0.886252 0.165379 N\n0.584621 0.863748 0.399630 N\n0.149630 0.113748 0.665379 N\n0.886252 0.165379 0.350370 N\n0.386252 0.334621 0.649630 N\n0.613748 0.834621 0.850370 N\n0.113748 0.665379 0.149630 N\n0.125000 0.012850 0.262850 N\n0.375000 0.987150 0.762850 N\n0.875000 0.512850 0.237150 N\n0.262850 0.125000 0.012850 N\n0.762850 0.375000 0.987150 N\n0.625000 0.487150 0.737150 N\n0.737150 0.625000 0.487150 N\n0.237150 0.875000 0.512850 N\n0.012850 0.262850 0.125000 N\n0.512850 0.237150 0.875000 N\n0.487150 0.737150 0.625000 N\n0.987150 0.762850 0.375000 N\n0.125000 0.946057 0.196057 O\n0.375000 0.053943 0.696057 O\n0.875000 0.446057 0.303943 O\n0.196057 0.125000 0.946057 O\n0.696057 0.375000 0.053943 O\n0.625000 0.553943 0.803943 O\n0.803943 0.625000 0.553943 O\n0.303943 0.875000 0.446057 O\n0.946057 0.196057 0.125000 O\n0.446057 0.303943 0.875000 O\n0.553943 0.803943 0.625000 O\n0.053943 0.696057 0.375000 O\n0.053490 0.391587 0.441546 O\n0.446510 0.608413 0.941546 O\n0.946510 0.891587 0.058454 O\n0.441546 0.053490 0.391587 O\n0.141587 0.303490 0.808454 O\n0.553490 0.108413 0.558454 O\n0.941546 0.446510 0.608413 O\n0.358413 0.696510 0.308454 O\n0.058454 0.946510 0.891587 O\n0.641587 0.196510 0.191546 O\n0.558454 0.553490 0.108413 O\n0.858413 0.803490 0.691546 O\n0.391587 0.441546 0.053490 O\n0.803490 0.691546 0.858413 O\n0.891587 0.058454 0.946510 O\n0.696510 0.308454 0.358413 O\n0.108413 0.558454 0.553490 O\n0.303490 0.808454 0.141587 O\n0.608413 0.941546 0.446510 O\n0.196510 0.191546 0.641587 O\n0.808454 0.141587 0.303490 O\n0.308454 0.358413 0.696510 O\n0.691546 0.858413 0.803490 O\n0.191546 0.641587 0.196510 O\n0.081302 0.499521 0.327407 O\n0.418698 0.500479 0.827407 O\n0.918698 0.999521 0.172593 O\n0.327407 0.081302 0.499521 O\n0.249521 0.331302 0.922593 O\n0.581302 0.000479 0.672593 O\n0.827407 0.418698 0.500479 O\n0.250479 0.668698 0.422593 O\n0.172593 0.918698 0.999521 O\n0.749521 0.168698 0.077407 O\n0.672593 0.581302 0.000479 O\n0.750479 0.831302 0.577407 O\n0.499521 0.327407 0.081302 O\n0.831302 0.577407 0.750479 O\n0.999521 0.172593 0.918698 O\n0.668698 0.422593 0.250479 O\n0.000479 0.672593 0.581302 O\n0.331302 0.922593 0.249521 O\n0.500479 0.827407 0.418698 O\n0.168698 0.077407 0.749521 O\n0.922593 0.249521 0.331302 O\n0.422593 0.250479 0.668698 O\n0.577407 0.750479 0.831302 O\n0.077407 0.749521 0.168698 O\n0.161188 0.359350 0.325419 O\n0.338812 0.640650 0.825419 O\n0.838812 0.859350 0.174581 O\n0.325419 0.161188 0.359350 O\n0.109350 0.411188 0.924581 O\n0.661188 0.140650 0.674581 O\n0.825419 0.338812 0.640650 O\n0.390650 0.588812 0.424581 O\n0.174581 0.838812 0.859350 O\n0.609350 0.088812 0.075419 O\n0.674581 0.661188 0.140650 O\n0.890650 0.911188 0.575419 O\n0.359350 0.325419 0.161188 O\n0.911188 0.575419 0.890650 O\n0.859350 0.174581 0.838812 O\n0.588812 0.424581 0.390650 O\n0.140650 0.674581 0.661188 O\n0.411188 0.924581 0.109350 O\n0.640650 0.825419 0.338812 O\n0.088812 0.075419 0.609350 O\n0.924581 0.109350 0.411188 O\n0.424581 0.390650 0.588812 O\n0.575419 0.890650 0.911188 O\n0.075419 0.609350 0.088812 O\n0.091812 0.095911 0.241780 O\n0.408188 0.904089 0.741780 O\n0.908188 0.595911 0.258220 O\n0.241780 0.091812 0.095911 O\n0.845911 0.341812 0.008220 O\n0.591812 0.404089 0.758220 O\n0.741780 0.408188 0.904089 O\n0.654089 0.658188 0.508220 O\n0.258220 0.908188 0.595911 O\n0.345911 0.158188 0.991780 O\n0.758220 0.591812 0.404089 O\n0.154089 0.841812 0.491780 O\n0.095911 0.241780 0.091812 O\n0.841812 0.491780 0.154089 O\n0.595911 0.258220 0.908188 O\n0.658188 0.508220 0.654089 O\n0.404089 0.758220 0.591812 O\n0.341812 0.008220 0.845911 O\n0.904089 0.741780 0.408188 O\n0.158188 0.991780 0.345911 O\n0.008220 0.845911 0.341812 O\n0.508220 0.654089 0.658188 O\n0.491780 0.154089 0.841812 O\n0.991780 0.345911 0.158188 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "K",
                "Sm",
                "N",
                "O"
            ],
            "chemical_system": "K-N-O-Sm",
            "density": 2.545381642852745,
            "density_atomic": 0.06438898759250597,
            "volume": 2547.01939154402,
            "volume_molar": 9.352749569711978,
            "formula_full": "K12 Sm8 N36 O108",
            "formula_reduced": "K3Sm2(NO3)9",
            "formula_anonymous": "A2B3C9D27",
            "energy": -1126.29792901,
            "energy_per_atom": -6.867670298841463,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1052.10192901,
            "band_gap": 3.5116,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.14e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:45.101000Z",
            "spacegroup": 213
        },
        {
            "id": "mp-707938",
            "created_at": "2022-09-04T14:48:25.623003Z",
            "structure_string": "Mg4 H72 C16 S4 N32 O36\n1.0\n14.873091 0.000000 0.000000\n0.000000 9.420919 0.000000\n0.000000 8.768382 11.354827\nMg H C S N O\n4 72 16 4 32 36\ndirect\n0.824283 0.717386 0.161007 Mg\n0.675717 0.717386 0.661007 Mg\n0.175717 0.282614 0.838993 Mg\n0.324283 0.282614 0.338993 Mg\n0.995569 0.820482 0.111292 H\n0.504431 0.820482 0.611292 H\n0.004431 0.179518 0.888708 H\n0.495569 0.179518 0.388708 H\n0.978810 0.781803 0.019576 H\n0.521190 0.781803 0.519576 H\n0.021190 0.218197 0.980424 H\n0.478810 0.218197 0.480424 H\n0.664035 0.682282 0.911396 H\n0.835965 0.682282 0.411396 H\n0.335965 0.317718 0.088604 H\n0.164035 0.317718 0.588604 H\n0.689549 0.767174 0.984888 H\n0.810451 0.767174 0.484888 H\n0.310451 0.232826 0.015112 H\n0.189549 0.232826 0.515112 H\n0.738182 0.429772 0.961713 H\n0.761818 0.429772 0.461713 H\n0.261818 0.570228 0.038287 H\n0.238182 0.570228 0.538287 H\n0.826259 0.337836 0.065343 H\n0.673741 0.337836 0.565343 H\n0.173741 0.662164 0.934657 H\n0.326259 0.662164 0.434657 H\n0.070249 0.449507 0.420418 H\n0.429751 0.449507 0.920418 H\n0.929751 0.550493 0.579582 H\n0.570249 0.550493 0.079582 H\n0.017419 0.647002 0.304891 H\n0.482581 0.647002 0.804891 H\n0.982581 0.352998 0.695109 H\n0.517419 0.352998 0.195109 H\n0.985608 0.180525 0.546901 H\n0.514392 0.180525 0.046901 H\n0.014392 0.819475 0.453099 H\n0.485608 0.819475 0.953099 H\n0.877465 0.177429 0.503430 H\n0.622535 0.177429 0.003430 H\n0.122535 0.822571 0.496570 H\n0.377465 0.822571 0.996570 H\n0.809781 0.352001 0.847428 H\n0.690219 0.352001 0.347428 H\n0.190219 0.647999 0.152572 H\n0.309781 0.647999 0.652572 H\n0.856426 0.178067 0.982567 H\n0.643574 0.178067 0.482567 H\n0.143574 0.821933 0.017433 H\n0.356426 0.821933 0.517433 H\n0.697677 0.295703 0.763093 H\n0.802323 0.295703 0.263093 H\n0.302323 0.704297 0.236907 H\n0.197677 0.704297 0.736907 H\n0.659330 0.077635 0.830885 H\n0.840670 0.077635 0.330885 H\n0.340670 0.922365 0.169115 H\n0.159330 0.922365 0.669115 H\n0.610969 0.951299 0.254217 H\n0.889031 0.951299 0.754217 H\n0.389031 0.048701 0.745783 H\n0.110969 0.048701 0.245783 H\n0.720541 0.931592 0.218455 H\n0.779459 0.931592 0.718455 H\n0.279459 0.068408 0.781545 H\n0.220541 0.068408 0.281545 H\n0.506601 0.723827 0.309024 H\n0.993399 0.723827 0.809024 H\n0.493399 0.276173 0.690976 H\n0.006601 0.276173 0.190976 H\n0.538324 0.548868 0.304841 H\n0.961676 0.548868 0.804841 H\n0.461676 0.451132 0.695159 H\n0.038324 0.451132 0.195159 H\n0.756160 0.541860 0.045727 C\n0.743840 0.541860 0.545727 C\n0.243840 0.458140 0.954273 C\n0.256160 0.458140 0.454273 C\n0.936914 0.421929 0.392762 C\n0.563086 0.421929 0.892762 C\n0.063086 0.578071 0.607238 C\n0.436914 0.578071 0.107238 C\n0.762865 0.097195 0.917606 C\n0.737135 0.097195 0.417606 C\n0.237135 0.902805 0.082394 C\n0.262865 0.902805 0.582394 C\n0.637119 0.734111 0.254012 C\n0.862881 0.734111 0.754012 C\n0.362881 0.265889 0.745988 C\n0.137119 0.265889 0.245988 C\n0.937556 0.983688 0.204736 S\n0.562444 0.983688 0.704736 S\n0.062444 0.016312 0.795264 S\n0.437556 0.016312 0.295264 S\n0.684463 0.655465 0.988767 N\n0.815537 0.655465 0.488767 N\n0.315537 0.344535 0.011233 N\n0.184463 0.344535 0.511233 N\n0.772042 0.421247 0.026914 N\n0.727958 0.421247 0.526914 N\n0.227958 0.578753 0.973086 N\n0.272042 0.578753 0.473086 N\n0.015047 0.510815 0.367426 N\n0.484953 0.510815 0.867426 N\n0.984953 0.489185 0.632574 N\n0.515047 0.489185 0.132574 N\n0.935363 0.245824 0.485700 N\n0.564637 0.245824 0.985700 N\n0.064637 0.754176 0.514300 N\n0.435363 0.754176 0.014300 N\n0.816415 0.217389 0.913120 N\n0.683585 0.217389 0.413120 N\n0.183585 0.782611 0.086880 N\n0.316415 0.782611 0.586880 N\n0.706091 0.160705 0.826939 N\n0.793909 0.160705 0.326939 N\n0.293909 0.839295 0.173061 N\n0.206091 0.839295 0.673061 N\n0.654844 0.893452 0.232044 N\n0.845156 0.893452 0.732044 N\n0.345156 0.106548 0.767956 N\n0.154844 0.106548 0.267956 N\n0.553796 0.664556 0.291967 N\n0.946204 0.664556 0.791967 N\n0.446204 0.335444 0.708033 N\n0.053796 0.335444 0.208033 N\n0.938147 0.963578 0.315773 O\n0.561853 0.963578 0.815773 O\n0.061853 0.036422 0.684227 O\n0.438147 0.036422 0.184227 O\n0.856240 0.889983 0.203343 O\n0.643760 0.889983 0.703343 O\n0.143760 0.110017 0.796657 O\n0.356240 0.110017 0.296657 O\n0.933280 0.178842 0.101372 O\n0.566720 0.178842 0.601372 O\n0.066720 0.821158 0.898628 O\n0.433280 0.821158 0.398628 O\n0.020928 0.904620 0.195313 O\n0.479072 0.904620 0.695313 O\n0.979072 0.095380 0.804687 O\n0.520928 0.095380 0.304687 O\n0.959537 0.748115 0.096235 O\n0.540463 0.748115 0.596235 O\n0.040463 0.251885 0.903765 O\n0.459537 0.251885 0.403765 O\n0.802954 0.544638 0.118768 O\n0.697046 0.544638 0.618768 O\n0.197046 0.455362 0.881232 O\n0.302954 0.455362 0.381232 O\n0.865645 0.497792 0.331889 O\n0.634355 0.497792 0.831889 O\n0.134355 0.502208 0.668111 O\n0.365645 0.502208 0.168111 O\n0.765544 0.929940 0.003192 O\n0.734456 0.929940 0.503192 O\n0.234456 0.070060 0.996808 O\n0.265544 0.070060 0.496808 O\n0.696448 0.653391 0.238856 O\n0.803552 0.653391 0.738856 O\n0.303552 0.346609 0.761144 O\n0.196448 0.346609 0.261144 O\n",
            "nsites": 164,
            "nelements": 6,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-Mg-N-O-S",
            "density": 1.5805897757893947,
            "density_atomic": 0.10307867356294384,
            "volume": 1591.017756935485,
            "volume_molar": 5.8422761487347294,
            "formula_full": "Mg4 H72 C16 S4 N32 O36",
            "formula_reduced": "MgH18C4SN8O9",
            "formula_anonymous": "ABC4D8E9F18",
            "energy": -1024.65354974,
            "energy_per_atom": -6.247887498414634,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -988.36954974,
            "band_gap": 5.0242,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:35.357000Z",
            "spacegroup": 14
        }
    ]
}