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_stable&page=12162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12160",
"results": [
{
"id": "mp-5696",
"created_at": "2022-09-04T14:41:11.682313Z",
"structure_string": "La4 Cu4 O10\n1.0\n3.925374 0.000000 0.000000\n0.000000 5.485697 0.000000\n0.000000 0.000000 10.544248\nLa Cu O\n4 4 10\ndirect\n0.500000 0.194083 0.862997 La\n0.500000 0.805917 0.137003 La\n0.500000 0.694083 0.637003 La\n0.500000 0.305917 0.362997 La\n0.000000 0.203785 0.604957 Cu\n0.000000 0.796215 0.395043 Cu\n0.000000 0.703785 0.895043 Cu\n0.000000 0.296215 0.104957 Cu\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.000000 0.416903 0.790679 O\n0.000000 0.583097 0.209321 O\n0.000000 0.916903 0.709321 O\n0.000000 0.083097 0.290679 O\n0.500000 0.214222 0.604138 O\n0.500000 0.785778 0.395862 O\n0.500000 0.285778 0.104138 O\n0.500000 0.714222 0.895862 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Cu",
"O"
],
"chemical_system": "Cu-La-O",
"density": 7.092555683587889,
"density_atomic": 0.07927642107053735,
"volume": 227.053640375418,
"volume_molar": 7.5963832356177035,
"formula_full": "La4 Cu4 O10",
"formula_reduced": "La2Cu2O5",
"formula_anonymous": "A2B2C5",
"energy": -131.06134971,
"energy_per_atom": -7.281186095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.19134971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4228973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.430000Z",
"spacegroup": 55
},
{
"id": "mp-1245747",
"created_at": "2022-09-04T14:41:11.963492Z",
"structure_string": "Ga4 Co2 N6\n1.0\n5.554696 0.044772 0.000000\n-2.737370 4.742641 0.000000\n0.000000 0.000000 5.148188\nGa Co N\n4 2 6\ndirect\n0.333378 0.332362 0.493736 Ga\n0.666622 0.998984 0.493736 Ga\n0.666622 0.667638 0.993736 Ga\n0.333378 0.001016 0.993736 Ga\n0.000000 0.653964 0.493709 Co\n0.000000 0.346036 0.993709 Co\n0.329678 0.338217 0.874790 N\n0.670322 0.008539 0.874790 N\n0.670322 0.661783 0.374790 N\n0.329678 0.991461 0.374790 N\n0.000000 0.665229 0.857240 N\n0.000000 0.334771 0.357240 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ga",
"Co",
"N"
],
"chemical_system": "Co-Ga-N",
"density": 5.859513958941247,
"density_atomic": 0.08807051915386879,
"volume": 136.25444831356896,
"volume_molar": 6.837862224337141,
"formula_full": "Ga4 Co2 N6",
"formula_reduced": "Ga2CoN3",
"formula_anonymous": "AB2C3",
"energy": -78.91259114,
"energy_per_atom": -6.576049261666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.74659114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0263269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.962000Z",
"spacegroup": 36
},
{
"id": "mp-887511",
"created_at": "2022-09-04T14:41:11.541955Z",
"structure_string": "Fe10 O4 F16\n1.0\n4.793882 0.000000 0.000000\n0.000000 5.753226 0.000000\n0.000000 2.587139 13.458140\nFe O F\n10 4 16\ndirect\n0.515372 0.757602 0.989079 Fe\n0.502482 0.535202 0.603998 Fe\n0.531660 0.135379 0.789156 Fe\n0.485694 0.943613 0.400487 Fe\n0.481729 0.351832 0.196616 Fe\n0.985694 0.056387 0.599513 Fe\n0.031660 0.864621 0.210844 Fe\n0.981729 0.648168 0.803384 Fe\n0.002482 0.464798 0.396002 Fe\n0.015372 0.242398 0.010921 Fe\n0.185248 0.168744 0.133350 O\n0.203720 0.773665 0.329612 O\n0.703720 0.226335 0.670388 O\n0.685248 0.831256 0.866650 O\n0.207676 0.962192 0.747139 F\n0.201240 0.553236 0.949239 F\n0.195446 0.374965 0.538775 F\n0.288765 0.059709 0.942329 F\n0.298563 0.867661 0.546507 F\n0.301259 0.277697 0.336136 F\n0.299760 0.692734 0.121977 F\n0.301385 0.444445 0.761418 F\n0.707676 0.037808 0.252861 F\n0.701240 0.446764 0.050761 F\n0.695446 0.625035 0.461225 F\n0.799760 0.307266 0.878023 F\n0.788765 0.940291 0.057671 F\n0.798563 0.132339 0.453493 F\n0.801259 0.722303 0.663864 F\n0.801385 0.555555 0.238582 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.144519289154763,
"density_atomic": 0.08082346005728488,
"volume": 371.1793578094409,
"volume_molar": 7.450981133116194,
"formula_full": "Fe10 O4 F16",
"formula_reduced": "Fe5(OF4)2",
"formula_anonymous": "A2B5C8",
"energy": -204.77011949,
"energy_per_atom": -6.825670649666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.07011949,
"band_gap": 0.6182999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 44.0000398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.799000Z",
"spacegroup": 4
},
{
"id": "mp-1247080",
"created_at": "2022-09-04T14:41:11.544918Z",
"structure_string": "Mg2 V2 Cr2 S8\n1.0\n6.161073 0.000641 3.558431\n2.025420 5.951733 3.608488\n-0.075793 0.007685 7.248184\nMg V Cr S\n2 2 2 8\ndirect\n0.873687 0.876227 0.876214 Mg\n0.126318 0.123802 0.123768 Mg\n0.499956 0.500023 0.499976 V\n0.000028 0.499996 0.500010 V\n0.500016 0.499962 0.000004 Cr\n0.500010 0.999974 0.500058 Cr\n0.737063 0.737147 0.737139 S\n0.264758 0.256777 0.713632 S\n0.264745 0.713643 0.256776 S\n0.711238 0.262907 0.262878 S\n0.735225 0.286391 0.743179 S\n0.288767 0.737100 0.737109 S\n0.262936 0.262843 0.262874 S\n0.735257 0.743203 0.286384 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"V",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S-V",
"density": 3.1749254330161465,
"density_atomic": 0.05238261178835057,
"volume": 267.26426044898886,
"volume_molar": 11.496449975293658,
"formula_full": "Mg2 V2 Cr2 S8",
"formula_reduced": "MgVCrS4",
"formula_anonymous": "ABCD4",
"energy": -91.07330453,
"energy_per_atom": -6.505236037857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.04930453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.173000Z",
"spacegroup": 74
},
{
"id": "mp-1444",
"created_at": "2022-09-04T14:41:11.549481Z",
"structure_string": "Ca2 Cd4\n1.0\n-2.515440 3.667626 4.346251\n2.515440 -3.667626 4.346251\n2.515440 3.667626 -4.346251\nCa Cd\n2 4\ndirect\n0.775292 0.525292 0.250000 Ca\n0.224708 0.474708 0.750000 Ca\n0.635939 0.165784 0.470155 Cd\n0.364061 0.834216 0.529845 Cd\n0.804370 0.834216 0.970155 Cd\n0.195630 0.165784 0.029845 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 5.485134117099423,
"density_atomic": 0.03740911636700599,
"volume": 160.38871223624696,
"volume_molar": 16.098056690030226,
"formula_full": "Ca2 Cd4",
"formula_reduced": "CaCd2",
"formula_anonymous": "AB2",
"energy": -9.67443354,
"energy_per_atom": -1.61240559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.67443354,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012029,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.146000Z",
"spacegroup": 74
},
{
"id": "mp-1235049",
"created_at": "2022-09-04T14:41:11.556622Z",
"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.025437 -0.299693 -1.440314\n-1.234981 6.630866 -2.430200\n0.073351 -0.687387 6.848659\nK Li H Se O\n2 1 2 2 6\ndirect\n0.346738 0.629066 0.193411 K\n0.652497 0.281820 0.779407 K\n0.533161 0.764784 0.833390 Li\n0.220681 0.140989 0.032963 H\n0.910291 0.772127 0.054735 H\n0.934393 0.218851 0.320505 Se\n0.017059 0.851796 0.649956 Se\n0.191613 0.138615 0.879521 O\n0.733173 0.700376 0.044891 O\n0.903997 0.426867 0.265014 O\n0.148943 0.728906 0.797311 O\n0.244578 0.170898 0.301444 O\n0.687874 0.841573 0.643747 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"K",
"Li",
"H",
"Se",
"O"
],
"chemical_system": "H-K-Li-O-Se",
"density": 2.6121272151475323,
"density_atomic": 0.05995773391513148,
"volume": 216.81940178728473,
"volume_molar": 10.0439765927848,
"formula_full": "K2 Li1 H2 Se2 O6",
"formula_reduced": "K2LiH2(SeO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy": -67.21096349999999,
"energy_per_atom": -5.170074115384614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.08896349999999,
"band_gap": 0.6496,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9995348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.304000Z",
"spacegroup": 1
},
{
"id": "mp-695608",
"created_at": "2022-09-04T14:41:11.569099Z",
"structure_string": "Rb8 Ba1 Na1 Al11 Si13 O48\n1.0\n12.241645 0.000000 0.000000\n-0.012246 12.270855 0.000000\n-0.084821 -0.061849 12.611525\nRb Ba Na Al Si O\n8 1 1 11 13 48\ndirect\n0.473054 0.479736 0.983923 Rb\n0.026139 0.462322 0.442560 Rb\n0.463847 0.026570 0.443671 Rb\n0.717904 0.708029 0.274346 Rb\n0.238404 0.759254 0.258212 Rb\n0.757493 0.236797 0.262775 Rb\n0.673605 0.664470 0.747888 Rb\n0.113133 0.133595 0.998332 Rb\n0.899890 0.897049 0.175222 Ba\n0.838824 0.837481 0.847241 Na\n0.190925 0.380701 0.001117 Al\n0.995055 0.806903 0.393431 Al\n0.808307 0.990581 0.393564 Al\n0.005642 0.187441 0.382141 Al\n0.187235 0.008662 0.381943 Al\n0.993138 0.632020 0.175425 Al\n0.999333 0.364826 0.181979 Al\n0.634926 0.991657 0.174690 Al\n0.367190 0.002599 0.181342 Al\n0.622522 0.808615 0.994293 Al\n0.810092 0.623921 0.994966 Al\n0.182724 0.631902 0.993928 Si\n0.633126 0.179553 0.993282 Si\n0.379144 0.189252 0.998697 Si\n0.001077 0.621038 0.813715 Si\n0.001162 0.373282 0.816089 Si\n0.622633 0.000400 0.813002 Si\n0.374694 0.004430 0.815987 Si\n0.001167 0.813999 0.636790 Si\n0.999885 0.184806 0.632479 Si\n0.814453 0.997115 0.635227 Si\n0.184467 0.003357 0.632966 Si\n0.364904 0.821873 0.995411 Si\n0.818271 0.365453 0.996349 Si\n0.485668 0.768379 0.004456 O\n0.278572 0.722099 0.978142 O\n0.709935 0.286281 0.980711 O\n0.243532 0.515134 0.009780 O\n0.311110 0.300957 0.982033 O\n0.648561 0.889696 0.878294 O\n0.890429 0.652046 0.878926 O\n0.358893 0.896380 0.886929 O\n0.891529 0.355915 0.887864 O\n0.112506 0.629470 0.882549 O\n0.636307 0.112009 0.881243 O\n0.112498 0.359711 0.883096 O\n0.363523 0.115146 0.887960 O\n0.498267 0.999799 0.761254 O\n0.992369 0.497701 0.761492 O\n0.005201 0.716669 0.724270 O\n0.282124 0.003292 0.724002 O\n0.993580 0.281740 0.722068 O\n0.717054 0.001338 0.723137 O\n0.887727 0.885587 0.669845 O\n0.106418 0.894145 0.651561 O\n0.892657 0.103559 0.648978 O\n0.107266 0.109355 0.661152 O\n0.753256 0.984779 0.522823 O\n0.991431 0.754046 0.523300 O\n0.240392 0.004619 0.518291 O\n0.002324 0.240357 0.517811 O\n0.863121 0.859758 0.368052 O\n0.099313 0.896889 0.370537 O\n0.896456 0.096316 0.373088 O\n0.130587 0.132536 0.353570 O\n0.299780 0.982307 0.300421 O\n0.002532 0.718263 0.285015 O\n0.973990 0.299204 0.302257 O\n0.721333 0.998446 0.283784 O\n0.987835 0.501265 0.220076 O\n0.503443 0.995360 0.218945 O\n0.681598 0.871643 0.106629 O\n0.329691 0.890269 0.098872 O\n0.873340 0.682619 0.107463 O\n0.105020 0.667271 0.091827 O\n0.884008 0.326050 0.099874 O\n0.114590 0.333256 0.105729 O\n0.670389 0.104628 0.091433 O\n0.338496 0.118268 0.098476 O\n0.691416 0.691240 0.956222 O\n0.769254 0.487896 0.005044 O\n0.508613 0.228917 0.007707 O\n",
"nsites": 82,
"nelements": 6,
"elements": [
"Rb",
"Ba",
"Na",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-Na-O-Rb-Si",
"density": 1.9931760401170133,
"density_atomic": 0.04328442393343037,
"volume": 1894.4459126015531,
"volume_molar": 13.912951155967331,
"formula_full": "Rb8 Ba1 Na1 Al11 Si13 O48",
"formula_reduced": "Rb8BaNaAl11Si13O48",
"formula_anonymous": "ABC8D11E13F48",
"energy": -613.73125818,
"energy_per_atom": -7.484527538780489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -580.75525818,
"band_gap": 2.0294,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.790000Z",
"spacegroup": 1
},
{
"id": "mp-1210284",
"created_at": "2022-09-04T14:41:11.575914Z",
"structure_string": "Nb13 Ag1 O33\n1.0\n0.000000 -3.822542 0.000000\n-11.464667 1.911271 0.360680\n0.018372 0.000000 -15.741145\nNb Ag O\n13 1 33\ndirect\n0.708316 0.416631 0.625885 Nb\n0.291684 0.583369 0.374115 Nb\n0.914907 0.829814 0.325128 Nb\n0.085093 0.170186 0.674872 Nb\n0.153683 0.307367 0.903845 Nb\n0.846317 0.692633 0.096155 Nb\n0.928702 0.857403 0.773507 Nb\n0.071298 0.142597 0.226493 Nb\n0.775489 0.550978 0.862968 Nb\n0.224511 0.449022 0.137032 Nb\n0.863280 0.726561 0.533747 Nb\n0.136720 0.273439 0.466253 Nb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 Ag\n0.081122 0.162243 0.951845 O\n0.918878 0.837757 0.048155 O\n0.430695 0.861390 0.745688 O\n0.569305 0.138610 0.254312 O\n0.732574 0.465148 0.735996 O\n0.267426 0.534852 0.264004 O\n0.679438 0.358876 0.901326 O\n0.320562 0.641124 0.098674 O\n0.652677 0.305353 0.496960 O\n0.347323 0.694647 0.503040 O\n0.250259 0.500518 0.863000 O\n0.749741 0.499482 0.137000 O\n0.805972 0.611944 0.972279 O\n0.194028 0.388056 0.027721 O\n0.899107 0.798214 0.635792 O\n0.100893 0.201786 0.364208 O\n0.609826 0.219652 0.662888 O\n0.390174 0.780348 0.337112 O\n0.964649 0.929298 0.881463 O\n0.035351 0.070702 0.118537 O\n0.872861 0.745721 0.212314 O\n0.127139 0.254279 0.787686 O\n0.932480 0.864959 0.455914 O\n0.067520 0.135041 0.544086 O\n0.847065 0.694129 0.805011 O\n0.152935 0.305871 0.194989 O\n0.778055 0.556110 0.569496 O\n0.221945 0.443890 0.430504 O\n0.817664 0.635328 0.388328 O\n0.182336 0.364672 0.611672 O\n0.500000 0.000000 0.000000 O\n0.988672 0.977344 0.289132 O\n0.011328 0.022656 0.710868 O\n",
"nsites": 47,
"nelements": 3,
"elements": [
"Nb",
"Ag",
"O"
],
"chemical_system": "Ag-Nb-O",
"density": 4.438018376381835,
"density_atomic": 0.0681339824838237,
"volume": 689.8173024181978,
"volume_molar": 8.838674242225265,
"formula_full": "Nb13 Ag1 O33",
"formula_reduced": "Nb13AgO33",
"formula_anonymous": "AB13C33",
"energy": -437.34076743,
"energy_per_atom": -9.305122711276596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -414.66976743,
"band_gap": 1.7900000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.351000Z",
"spacegroup": 12
},
{
"id": "mp-559446",
"created_at": "2022-09-04T14:41:11.581363Z",
"structure_string": "Na2 P2 Pd2 S8\n1.0\n-3.725815 3.725815 6.230250\n3.725815 -3.725815 6.230250\n3.725815 3.725815 -6.230250\nNa P Pd S\n2 2 2 8\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.710140 0.210140 0.203739 S\n0.993599 0.493599 0.203739 S\n0.506401 0.710140 0.500000 S\n0.210140 0.006401 0.500000 S\n0.289860 0.789860 0.796261 S\n0.493599 0.289860 0.500000 S\n0.789860 0.993599 0.500000 S\n0.006401 0.506401 0.796261 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"P",
"Pd",
"S"
],
"chemical_system": "Na-P-Pd-S",
"density": 2.7709767598046176,
"density_atomic": 0.04046876926497947,
"volume": 345.9457812599012,
"volume_molar": 14.880958500537824,
"formula_full": "Na2 P2 Pd2 S8",
"formula_reduced": "NaPPdS4",
"formula_anonymous": "ABCD4",
"energy": -68.87554987,
"energy_per_atom": -4.9196821335714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.85154987,
"band_gap": 1.1606999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.838000Z",
"spacegroup": 140
},
{
"id": "mp-862288",
"created_at": "2022-09-04T14:41:11.585926Z",
"structure_string": "Al1 Fe2 W1\n1.0\n0.000000 2.934587 2.934587\n2.934587 0.000000 2.934587\n2.934587 2.934587 0.000000\nAl Fe W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"W"
],
"chemical_system": "Al-Fe-W",
"density": 10.595547212608555,
"density_atomic": 0.07913872110447959,
"volume": 50.544157704029196,
"volume_molar": 7.609600807232555,
"formula_full": "Al1 Fe2 W1",
"formula_reduced": "AlFe2W",
"formula_anonymous": "ABC2",
"energy": -34.47696017,
"energy_per_atom": -8.6192400425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47696017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8950859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.450000Z",
"spacegroup": 225
},
{
"id": "mp-1009731",
"created_at": "2022-09-04T14:41:11.587837Z",
"structure_string": "Re1 C1\n1.0\n2.700655 0.000000 0.000000\n0.000000 2.700655 0.000000\n0.000000 0.000000 2.700655\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 16.710298427499566,
"density_atomic": 0.10153661283203796,
"volume": 19.69732832538351,
"volume_molar": 5.931004188569729,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -19.48687855,
"energy_per_atom": -9.743439275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.48687855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.607000Z",
"spacegroup": 221
},
{
"id": "mp-1206062",
"created_at": "2022-09-04T14:41:11.601325Z",
"structure_string": "Ba2 Pr1 Pa1 O6\n1.0\n-4.535979 -4.535979 0.000000\n-4.535979 0.000000 -4.535979\n0.000000 -4.535979 -4.535979\nBa Pr Pa O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pa\n0.759636 0.759636 0.240364 O\n0.240364 0.240364 0.759636 O\n0.759636 0.240364 0.759636 O\n0.240364 0.759636 0.240364 O\n0.240364 0.759636 0.759636 O\n0.759636 0.240364 0.240364 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Pa",
"O"
],
"chemical_system": "Ba-O-Pa-Pr",
"density": 6.606286299742013,
"density_atomic": 0.05357434851595737,
"volume": 186.65649283670624,
"volume_molar": 11.240716736305767,
"formula_full": "Ba2 Pr1 Pa1 O6",
"formula_reduced": "Ba2PrPaO6",
"formula_anonymous": "ABC2D6",
"energy": -84.0698442,
"energy_per_atom": -8.40698442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.9478442,
"band_gap": 3.4661000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.334000Z",
"spacegroup": 225
}
]
}