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=12158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12156",
"results": [
{
"id": "mp-5694",
"created_at": "2022-09-04T14:48:04.009093Z",
"structure_string": "Na1 Ho1 S2\n1.0\n6.745936 -1.984221 0.000000\n6.745936 1.984221 0.000000\n6.162306 0.000000 3.386853\nNa Ho S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ho\n0.742370 0.742370 0.742370 S\n0.257630 0.257630 0.257630 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ho",
"S"
],
"chemical_system": "Ho-Na-S",
"density": 4.616122780831445,
"density_atomic": 0.044116534519985415,
"volume": 90.66895311525305,
"volume_molar": 13.65052995554736,
"formula_full": "Na1 Ho1 S2",
"formula_reduced": "NaHoS2",
"formula_anonymous": "ABC2",
"energy": -22.56908449,
"energy_per_atom": -5.6422711225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.56308449,
"band_gap": 2.3355,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.686000Z",
"spacegroup": 166
},
{
"id": "mp-1217799",
"created_at": "2022-09-04T14:48:04.018544Z",
"structure_string": "Tb3 V4 Fe32\n1.0\n0.000000 0.000000 4.665236\n-4.229199 4.248042 -2.332618\n-12.675837 -12.732431 2.332618\nTb V Fe\n3 4 32\ndirect\n0.999854 0.999957 0.000248 Tb\n0.329581 0.994232 0.335069 Tb\n0.663117 0.994649 0.668415 Tb\n0.572287 0.357902 0.213328 V\n0.913297 0.370058 0.543465 V\n0.246869 0.370223 0.876485 V\n0.760668 0.641404 0.120068 V\n0.348567 0.772720 0.075587 Fe\n0.680931 0.771726 0.409863 Fe\n0.013787 0.770441 0.742868 Fe\n0.985392 0.228111 0.257326 Fe\n0.319139 0.228661 0.590384 Fe\n0.652260 0.228369 0.923849 Fe\n0.758501 0.774843 0.257839 Fe\n0.091931 0.775522 0.591661 Fe\n0.424995 0.775148 0.925158 Fe\n0.575032 0.225329 0.075265 Fe\n0.908576 0.225298 0.408146 Fe\n0.242184 0.225712 0.741344 Fe\n0.167205 0.000153 0.166778 Fe\n0.499658 0.999409 0.500394 Fe\n0.832442 0.999007 0.833627 Fe\n0.666171 0.000153 0.166778 Fe\n0.999356 0.999409 0.500394 Fe\n0.332936 0.999007 0.833627 Fe\n0.333808 0.500067 0.333356 Fe\n0.665936 0.498922 0.666910 Fe\n0.999344 0.499233 0.000056 Fe\n0.832901 0.500067 0.333356 Fe\n0.166077 0.498922 0.666910 Fe\n0.499833 0.499233 0.000056 Fe\n0.090971 0.636553 0.454610 Fe\n0.424195 0.636299 0.787910 Fe\n0.119533 0.358652 0.119585 Fe\n0.453610 0.359912 0.452692 Fe\n0.786951 0.359946 0.786046 Fe\n0.214095 0.641622 0.213431 Fe\n0.547542 0.641933 0.546850 Fe\n0.880466 0.641198 0.880266 Fe\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Tb",
"V",
"Fe"
],
"chemical_system": "Fe-Tb-V",
"density": 8.15548204490055,
"density_atomic": 0.07762355758032996,
"volume": 502.4247949424405,
"volume_molar": 7.758135478096187,
"formula_full": "Tb3 V4 Fe32",
"formula_reduced": "Tb3(VFe8)4",
"formula_anonymous": "A3B4C32",
"energy": -323.57970537,
"energy_per_atom": -8.296915522307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.57970537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 57.8881731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.081000Z",
"spacegroup": 8
},
{
"id": "mp-768225",
"created_at": "2022-09-04T14:48:04.023137Z",
"structure_string": "Cu4 Ni2 O8\n1.0\n-2.661621 2.661621 4.932104\n2.661621 -2.661621 4.932104\n2.661621 2.661621 -4.932104\nCu Ni O\n4 2 8\ndirect\n0.875000 0.625000 0.250000 Cu\n0.375000 0.625000 0.250000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.750000 Cu\n0.750000 0.250000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.348915 0.831174 0.113039 O\n0.031865 0.014125 0.613039 O\n0.985875 0.598915 0.017740 O\n0.168826 0.281865 0.517740 O\n0.581174 0.968135 0.982260 O\n0.764125 0.651085 0.482260 O\n0.718135 0.235875 0.886961 O\n0.401085 0.418826 0.386961 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 5.935500208956921,
"density_atomic": 0.10017131840914055,
"volume": 139.76056442442223,
"volume_molar": 6.011841369006565,
"formula_full": "Cu4 Ni2 O8",
"formula_reduced": "Cu2NiO4",
"formula_anonymous": "AB2C4",
"energy": -80.2733418,
"energy_per_atom": -5.733810128571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.6953418,
"band_gap": 0.0918999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9976456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.244000Z",
"spacegroup": 88
},
{
"id": "mp-1214810",
"created_at": "2022-09-04T14:48:04.176296Z",
"structure_string": "As2 Pb2 O8\n1.0\n-4.969656 0.000000 0.394648\n-0.090357 0.000000 -6.069918\n0.000000 -6.008886 0.000000\nAs Pb O\n2 2 8\ndirect\n0.000000 0.750000 0.743694 As\n0.000000 0.250000 0.256306 As\n0.500000 0.750000 0.270565 Pb\n0.500000 0.250000 0.729435 Pb\n0.819498 0.924849 0.910443 O\n0.180502 0.075151 0.089557 O\n0.180502 0.575151 0.910443 O\n0.819498 0.424849 0.089557 O\n0.758646 0.604761 0.590294 O\n0.241354 0.395239 0.409706 O\n0.241354 0.895239 0.590294 O\n0.758646 0.104761 0.409706 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"Pb",
"O"
],
"chemical_system": "As-O-Pb",
"density": 6.33415346768858,
"density_atomic": 0.06612490227247417,
"volume": 181.4747483565695,
"volume_molar": 9.107220658240337,
"formula_full": "As2 Pb2 O8",
"formula_reduced": "AsPbO4",
"formula_anonymous": "ABC4",
"energy": -74.33611432,
"energy_per_atom": -6.194676193333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.84011432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.756000Z",
"spacegroup": 13
},
{
"id": "mp-1223453",
"created_at": "2022-09-04T14:48:04.233262Z",
"structure_string": "La2 Ga5 Au3\n1.0\n4.479646 0.000000 0.000000\n0.000000 4.479646 0.000000\n0.000000 0.000000 10.965007\nLa Ga Au\n2 5 3\ndirect\n0.500000 0.000000 0.257044 La\n0.000000 0.500000 0.742956 La\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.872297 Ga\n0.000000 0.500000 0.127703 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.644121 Au\n0.000000 0.500000 0.355879 Au\n0.500000 0.500000 0.500000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-La",
"density": 9.186700647134131,
"density_atomic": 0.045446840434590366,
"volume": 220.03729861908792,
"volume_molar": 13.25095584734301,
"formula_full": "La2 Ga5 Au3",
"formula_reduced": "La2Ga5Au3",
"formula_anonymous": "A2B3C5",
"energy": -40.58074399,
"energy_per_atom": -4.0580743990000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.58074399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.969000Z",
"spacegroup": 115
},
{
"id": "mp-26521",
"created_at": "2022-09-04T14:48:03.679747Z",
"structure_string": "Li2 Mo2 P8 O24\n1.0\n3.726667 7.891698 0.000000\n-3.726667 7.891698 0.000000\n0.000000 5.364804 8.257545\nLi Mo P O\n2 2 8 24\ndirect\n0.691951 0.308049 0.750000 Li\n0.308049 0.691951 0.250000 Li\n0.136156 0.863844 0.750000 Mo\n0.863844 0.136156 0.250000 Mo\n0.970149 0.312060 0.830361 P\n0.556152 0.707550 0.865559 P\n0.029851 0.687940 0.169639 P\n0.443848 0.292450 0.134441 P\n0.707550 0.556152 0.365559 P\n0.292450 0.443848 0.634441 P\n0.687940 0.029851 0.669639 P\n0.312060 0.970149 0.330361 P\n0.498081 0.353510 0.955299 O\n0.981199 0.257146 0.996754 O\n0.236263 0.478798 0.211441 O\n0.018801 0.742854 0.003246 O\n0.403360 0.801676 0.777274 O\n0.858544 0.638487 0.304693 O\n0.979982 0.161006 0.787766 O\n0.361513 0.141456 0.195307 O\n0.257146 0.981199 0.496754 O\n0.646490 0.501919 0.544701 O\n0.763737 0.521202 0.788559 O\n0.521202 0.763737 0.288559 O\n0.801676 0.403360 0.277274 O\n0.838994 0.020018 0.712234 O\n0.161006 0.979982 0.287766 O\n0.198324 0.596640 0.722726 O\n0.596640 0.198324 0.222726 O\n0.501919 0.646490 0.044701 O\n0.353510 0.498081 0.455299 O\n0.742854 0.018801 0.503246 O\n0.638487 0.858544 0.804693 O\n0.020018 0.838994 0.212234 O\n0.141456 0.361513 0.695307 O\n0.478798 0.236263 0.711441 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Mo",
"P",
"O"
],
"chemical_system": "Li-Mo-O-P",
"density": 2.8633963740981896,
"density_atomic": 0.07411916380278029,
"volume": 485.70434625774345,
"volume_molar": 8.12494428029975,
"formula_full": "Li2 Mo2 P8 O24",
"formula_reduced": "LiMo(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -279.57358369,
"energy_per_atom": -7.765932880277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.68158369,
"band_gap": 4.0217,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9654394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.565000Z",
"spacegroup": 15
},
{
"id": "mp-999076",
"created_at": "2022-09-04T14:48:03.768225Z",
"structure_string": "Ti2 In1 Ni1\n1.0\n0.000000 3.203534 3.203534\n3.203534 0.000000 3.203534\n3.203534 3.203534 0.000000\nTi In Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Ni"
],
"chemical_system": "In-Ni-Ti",
"density": 6.799537622016046,
"density_atomic": 0.06083338497422348,
"volume": 65.75336884006855,
"volume_molar": 9.899401064977267,
"formula_full": "Ti2 In1 Ni1",
"formula_reduced": "Ti2InNi",
"formula_anonymous": "ABC2",
"energy": -24.71166524,
"energy_per_atom": -6.17791631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.71166524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0023676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.414000Z",
"spacegroup": 216
},
{
"id": "mp-976151",
"created_at": "2022-09-04T14:48:03.800429Z",
"structure_string": "Pr1 Er1 Mg2\n1.0\n0.000000 3.837454 3.837454\n3.837454 0.000000 3.837454\n3.837454 3.837454 0.000000\nPr Er Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Er",
"Mg"
],
"chemical_system": "Er-Mg-Pr",
"density": 5.241866756519933,
"density_atomic": 0.03539162045928359,
"volume": 113.02110352934571,
"volume_molar": 17.015724857606315,
"formula_full": "Pr1 Er1 Mg2",
"formula_reduced": "PrErMg2",
"formula_anonymous": "ABC2",
"energy": -12.91323234,
"energy_per_atom": -3.228308085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.91323234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.349000Z",
"spacegroup": 225
},
{
"id": "mp-1195450",
"created_at": "2022-09-04T14:48:03.803574Z",
"structure_string": "Li8 Ca4 B32 H28 O70\n1.0\n3.398927 10.058784 0.000000\n-3.398927 10.058784 0.000000\n0.000000 1.408960 20.224318\nLi Ca B H O\n8 4 32 28 70\ndirect\n0.112444 0.259097 0.270722 Li\n0.740903 0.887556 0.229278 Li\n0.887556 0.740903 0.729278 Li\n0.259097 0.112444 0.770722 Li\n0.509702 0.400107 0.340917 Li\n0.599893 0.490298 0.159083 Li\n0.490298 0.599893 0.659083 Li\n0.400107 0.509702 0.840917 Li\n0.381269 0.152897 0.091842 Ca\n0.847103 0.618731 0.408158 Ca\n0.618731 0.847103 0.908158 Ca\n0.152897 0.381269 0.591842 Ca\n0.124626 0.451425 0.194640 B\n0.548575 0.875374 0.305360 B\n0.875374 0.548575 0.805360 B\n0.451425 0.124626 0.694640 B\n0.208031 0.450731 0.306686 B\n0.549269 0.791969 0.193314 B\n0.791969 0.549269 0.693314 B\n0.450731 0.208031 0.806686 B\n0.445988 0.334384 0.210527 B\n0.665616 0.554012 0.289473 B\n0.554012 0.665616 0.789473 B\n0.334384 0.445988 0.710527 B\n0.934730 0.705210 0.096533 B\n0.294790 0.065270 0.403467 B\n0.065270 0.294790 0.903467 B\n0.705210 0.934730 0.596533 B\n0.733792 0.968393 0.004932 B\n0.031607 0.266208 0.495068 B\n0.266208 0.031607 0.995068 B\n0.968393 0.733792 0.504932 B\n0.058588 0.594255 0.982020 B\n0.405745 0.941412 0.517980 B\n0.941412 0.405745 0.017980 B\n0.594255 0.058588 0.482020 B\n0.267360 0.432378 0.431640 B\n0.567622 0.732640 0.068360 B\n0.732640 0.567622 0.568360 B\n0.432378 0.267360 0.931640 B\n0.707757 0.205474 0.952784 B\n0.794526 0.292243 0.547216 B\n0.292243 0.794526 0.047216 B\n0.205474 0.707757 0.452784 B\n0.927700 0.156917 0.961994 H\n0.843083 0.072300 0.538006 H\n0.072300 0.843083 0.038006 H\n0.156917 0.927700 0.461994 H\n0.979120 0.412843 0.153152 H\n0.587157 0.020880 0.346848 H\n0.020880 0.587157 0.846848 H\n0.412843 0.979120 0.653152 H\n0.341284 0.545304 0.137765 H\n0.454696 0.658716 0.362235 H\n0.658716 0.454696 0.862235 H\n0.545304 0.341284 0.637765 H\n0.754499 0.115982 0.186295 H\n0.884018 0.245501 0.313705 H\n0.245501 0.884018 0.813705 H\n0.115982 0.754499 0.686295 H\n0.873820 0.049587 0.393053 H\n0.950413 0.126180 0.106947 H\n0.126180 0.950413 0.606947 H\n0.049587 0.873820 0.893053 H\n0.904166 0.020633 0.315868 H\n0.979367 0.095834 0.184132 H\n0.095834 0.979367 0.684132 H\n0.020633 0.904166 0.815868 H\n0.184876 0.758062 0.227361 H\n0.241938 0.815124 0.272639 H\n0.815124 0.241938 0.772639 H\n0.758062 0.184876 0.727361 H\n0.331580 0.331201 0.175737 O\n0.668799 0.668420 0.324263 O\n0.668420 0.668799 0.824263 O\n0.331201 0.331580 0.675737 O\n0.087582 0.476216 0.266883 O\n0.523784 0.912418 0.233117 O\n0.912418 0.523784 0.733117 O\n0.476216 0.087582 0.766883 O\n0.370041 0.395574 0.281947 O\n0.604426 0.629959 0.218053 O\n0.629959 0.604426 0.718053 O\n0.395574 0.370041 0.781947 O\n0.092705 0.548071 0.050747 O\n0.451929 0.907295 0.449253 O\n0.907295 0.451929 0.949253 O\n0.548071 0.092705 0.550747 O\n0.756464 0.905439 0.075131 O\n0.094561 0.243536 0.424869 O\n0.243536 0.094561 0.924869 O\n0.905439 0.756464 0.575131 O\n0.862530 0.785764 0.962244 O\n0.214236 0.137470 0.537756 O\n0.137470 0.214236 0.037756 O\n0.785764 0.862530 0.462244 O\n0.205077 0.457815 0.935263 O\n0.542185 0.794923 0.564737 O\n0.794923 0.542185 0.064737 O\n0.457815 0.205077 0.435263 O\n0.515505 0.131314 0.989555 O\n0.868686 0.484495 0.510445 O\n0.484495 0.868686 0.010445 O\n0.131314 0.515505 0.489555 O\n0.811010 0.038476 0.994792 O\n0.961524 0.188990 0.505208 O\n0.188990 0.961524 0.005208 O\n0.038476 0.811010 0.494792 O\n0.321835 0.526273 0.422304 O\n0.473727 0.678165 0.077696 O\n0.678165 0.473727 0.577696 O\n0.526273 0.321835 0.922304 O\n0.796479 0.252802 0.938240 O\n0.747198 0.203521 0.561760 O\n0.203521 0.747198 0.061760 O\n0.252802 0.796479 0.438240 O\n0.955383 0.663117 0.162881 O\n0.336883 0.044617 0.337119 O\n0.044617 0.336883 0.837119 O\n0.663117 0.955383 0.662881 O\n0.413529 0.490311 0.179882 O\n0.509689 0.586471 0.320118 O\n0.586471 0.509689 0.820118 O\n0.490311 0.413529 0.679882 O\n0.668176 0.123802 0.212512 O\n0.876198 0.331824 0.287488 O\n0.331824 0.876198 0.787488 O\n0.123802 0.668176 0.712512 O\n0.108823 0.330933 0.174054 O\n0.669067 0.891177 0.325946 O\n0.891177 0.669067 0.825946 O\n0.330933 0.108823 0.674054 O\n0.153493 0.484376 0.372841 O\n0.515624 0.846507 0.127159 O\n0.846507 0.515624 0.627159 O\n0.484376 0.153493 0.872841 O\n0.805699 0.121812 0.351239 O\n0.878188 0.194301 0.148761 O\n0.194301 0.878188 0.648761 O\n0.121812 0.805699 0.851239 O\n0.120078 0.879922 0.250000 O\n0.879922 0.120078 0.750000 O\n",
"nsites": 142,
"nelements": 5,
"elements": [
"Li",
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-Li-O",
"density": 2.0532743284363946,
"density_atomic": 0.10268266787614672,
"volume": 1382.9013497319418,
"volume_molar": 5.864807454422354,
"formula_full": "Li8 Ca4 B32 H28 O70",
"formula_reduced": "Li4Ca2B16(H2O5)7",
"formula_anonymous": "A2B4C14D16E35",
"energy": -1023.72215822,
"energy_per_atom": -7.209310973380282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -975.63215822,
"band_gap": 5.1414,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0283789,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.347000Z",
"spacegroup": 15
},
{
"id": "mp-1021505",
"created_at": "2022-09-04T14:48:03.904931Z",
"structure_string": "Ce1 P12 Os4\n1.0\n-4.057790 4.057790 4.057790\n4.057790 -4.057790 4.057790\n4.057790 4.057790 -4.057790\nCe P Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.856842 0.644888 0.501730 P\n0.143158 0.355112 0.498270 P\n0.143158 0.644888 0.788046 P\n0.856842 0.355112 0.211954 P\n0.644888 0.501730 0.856842 P\n0.355112 0.498270 0.143158 P\n0.644888 0.788046 0.143158 P\n0.355112 0.211954 0.856842 P\n0.501730 0.856842 0.644888 P\n0.498270 0.143158 0.355112 P\n0.788046 0.143158 0.644888 P\n0.211954 0.856842 0.355112 P\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ce",
"P",
"Os"
],
"chemical_system": "Ce-Os-P",
"density": 7.907763326558311,
"density_atomic": 0.0636092430407418,
"volume": 267.2567568381765,
"volume_molar": 9.467398874944655,
"formula_full": "Ce1 P12 Os4",
"formula_reduced": "Ce(P3Os)4",
"formula_anonymous": "AB4C12",
"energy": -126.44758015,
"energy_per_atom": -7.43809295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.44758015,
"band_gap": 0.2829999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003176,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.126000Z",
"spacegroup": 204
},
{
"id": "mp-977112",
"created_at": "2022-09-04T14:48:04.078810Z",
"structure_string": "Na1 Sr1 O3\n1.0\n4.208330 0.000000 0.000000\n0.000000 4.208330 0.000000\n0.000000 0.000000 4.208330\nNa Sr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Sr",
"O"
],
"chemical_system": "Na-O-Sr",
"density": 3.5338225518348003,
"density_atomic": 0.0670873504401187,
"volume": 74.52969847814956,
"volume_molar": 8.97656670071549,
"formula_full": "Na1 Sr1 O3",
"formula_reduced": "NaSrO3",
"formula_anonymous": "ABC3",
"energy": -24.39358195,
"energy_per_atom": -4.87871639,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.332581950000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.855000Z",
"spacegroup": 221
},
{
"id": "mp-1245341",
"created_at": "2022-09-04T14:48:04.135222Z",
"structure_string": "Co28 Sn4 N24\n1.0\n9.795041 -0.000000 0.000000\n0.000000 5.869726 0.000000\n0.000000 0.000000 10.443712\nCo Sn N\n28 4 24\ndirect\n0.996798 0.714312 0.990117 Co\n0.503202 0.785688 0.490117 Co\n0.496798 0.785688 0.009883 Co\n0.003202 0.714312 0.509883 Co\n0.003202 0.285688 0.009883 Co\n0.496798 0.214312 0.509883 Co\n0.503202 0.214312 0.990117 Co\n0.996798 0.285688 0.490117 Co\n0.246559 0.746253 0.643824 Co\n0.253441 0.753747 0.143824 Co\n0.746559 0.753747 0.356176 Co\n0.753441 0.746253 0.856176 Co\n0.753441 0.253747 0.356176 Co\n0.746559 0.246253 0.856176 Co\n0.253441 0.246253 0.643824 Co\n0.246559 0.253747 0.143824 Co\n0.209209 0.507977 0.923486 Co\n0.290791 0.992023 0.423486 Co\n0.709209 0.992023 0.076514 Co\n0.790791 0.507977 0.576514 Co\n0.790791 0.492023 0.076514 Co\n0.709209 0.007977 0.576514 Co\n0.290791 0.007977 0.923486 Co\n0.209209 0.492023 0.423486 Co\n0.000000 0.451843 0.750000 Co\n0.500000 0.048157 0.250000 Co\n0.000000 0.548157 0.250000 Co\n0.500000 0.951843 0.750000 Co\n0.000000 0.906738 0.750000 Sn\n0.500000 0.593262 0.250000 Sn\n0.000000 0.093262 0.250000 Sn\n0.500000 0.406738 0.750000 Sn\n0.204611 0.503155 0.751106 N\n0.295389 0.996845 0.251106 N\n0.704611 0.996845 0.248894 N\n0.795389 0.503155 0.748894 N\n0.795389 0.496845 0.248894 N\n0.704611 0.003155 0.748894 N\n0.295389 0.003155 0.751106 N\n0.204611 0.496845 0.251106 N\n0.176057 0.782655 0.481621 N\n0.323943 0.717345 0.981621 N\n0.676057 0.717345 0.518379 N\n0.823943 0.782655 0.018379 N\n0.823943 0.217345 0.518379 N\n0.676057 0.282655 0.018379 N\n0.323943 0.282655 0.481621 N\n0.176057 0.217345 0.981621 N\n0.437468 0.714670 0.642548 N\n0.062532 0.785330 0.142548 N\n0.937468 0.785330 0.357452 N\n0.562532 0.714670 0.857452 N\n0.562532 0.285330 0.357452 N\n0.937468 0.214670 0.857452 N\n0.062532 0.214670 0.642548 N\n0.437468 0.285330 0.142548 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Sn",
"N"
],
"chemical_system": "Co-N-Sn",
"density": 6.806200265713221,
"density_atomic": 0.09326292949167923,
"volume": 600.4529377880654,
"volume_molar": 6.45716448413438,
"formula_full": "Co28 Sn4 N24",
"formula_reduced": "Co7SnN6",
"formula_anonymous": "AB6C7",
"energy": -406.57094632,
"energy_per_atom": -7.26019547,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.90694632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.88354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.716000Z",
"spacegroup": 60
}
]
}