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=-decomposes_to&page=116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=114",
"results": [
{
"id": "mp-972631",
"created_at": "2022-09-04T14:44:12.769586Z",
"structure_string": "Zr2 Co12 P7\n1.0\n4.461193 -7.727014 0.000000\n4.461193 7.727014 0.000000\n0.000000 0.000000 3.560333\nZr Co P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.437848 0.063044 0.000000 Co\n0.936956 0.374805 0.000000 Co\n0.625195 0.562152 0.000000 Co\n0.384875 0.438698 0.500000 Co\n0.561302 0.946177 0.500000 Co\n0.053823 0.615125 0.500000 Co\n0.158235 0.276720 0.000000 Co\n0.723280 0.881515 0.000000 Co\n0.118485 0.841765 0.000000 Co\n0.228672 0.098752 0.500000 Co\n0.901248 0.129919 0.500000 Co\n0.870081 0.771328 0.500000 Co\n0.115745 0.405248 0.500000 P\n0.594752 0.710497 0.500000 P\n0.289503 0.884255 0.500000 P\n0.000000 0.000000 0.000000 P\n0.409110 0.291912 0.000000 P\n0.708088 0.117199 0.000000 P\n0.882801 0.590890 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Zr",
"Co",
"P"
],
"chemical_system": "Co-P-Zr",
"density": 7.485185001686007,
"density_atomic": 0.08555314283632158,
"volume": 245.4614676187495,
"volume_molar": 7.039064329315674,
"formula_full": "Zr2 Co12 P7",
"formula_reduced": "Zr2Co12P7",
"formula_anonymous": "A2B7C12",
"energy": -156.83760885,
"energy_per_atom": -7.468457564285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.83760885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0646219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.486000Z",
"spacegroup": 174
},
{
"id": "mp-1213174",
"created_at": "2022-09-04T14:44:12.771620Z",
"structure_string": "Cs1 Sc1 W2 O8\n1.0\n0.000000 -5.999450 0.000000\n-4.810242 2.999725 0.437490\n-0.153829 0.000000 -8.812162\nCs Sc W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Sc\n0.632655 0.265309 0.808506 W\n0.367345 0.734691 0.191494 W\n0.681151 0.362302 0.618203 O\n0.318849 0.637698 0.381797 O\n0.277158 0.059046 0.834647 O\n0.722842 0.940954 0.165353 O\n0.218111 0.940954 0.165353 O\n0.781889 0.059046 0.834647 O\n0.784705 0.569410 0.942719 O\n0.215295 0.430590 0.057281 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"W",
"O"
],
"chemical_system": "Cs-O-Sc-W",
"density": 4.390970035552717,
"density_atomic": 0.04711198955507005,
"volume": 254.7122317127572,
"volume_molar": 12.782607605566332,
"formula_full": "Cs1 Sc1 W2 O8",
"formula_reduced": "CsSc(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -103.86738008,
"energy_per_atom": -8.655615006666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.49538008,
"band_gap": 4.1966,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.354000Z",
"spacegroup": 12
},
{
"id": "mp-1224312",
"created_at": "2022-09-04T14:44:12.773266Z",
"structure_string": "Ho4 Ni3 Ge12\n1.0\n-4.070999 0.000000 0.000000\n0.000000 0.000000 -4.079659\n0.000000 -21.597868 0.000000\nHo Ni Ge\n4 3 12\ndirect\n0.000000 0.500000 0.329931 Ho\n0.500000 0.500000 0.831474 Ho\n0.500000 0.500000 0.166412 Ho\n0.000000 0.500000 0.669224 Ho\n0.500000 0.000000 0.611092 Ni\n0.500000 0.000000 0.389100 Ni\n0.000000 0.000000 0.888717 Ni\n0.000000 0.000000 0.442378 Ge\n0.500000 0.000000 0.944518 Ge\n0.500000 0.000000 0.061845 Ge\n0.000000 0.000000 0.557707 Ge\n0.000000 0.000000 0.209345 Ge\n0.500000 0.000000 0.716511 Ge\n0.500000 0.000000 0.282052 Ge\n0.000000 0.000000 0.783118 Ge\n0.000000 0.500000 0.061329 Ge\n0.500000 0.500000 0.557512 Ge\n0.500000 0.500000 0.442788 Ge\n0.000000 0.500000 0.944747 Ge\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ho-Ni",
"density": 7.904408147443608,
"density_atomic": 0.05296852248096298,
"volume": 358.7036056523692,
"volume_molar": 11.36928212820052,
"formula_full": "Ho4 Ni3 Ge12",
"formula_reduced": "Ho4(NiGe4)3",
"formula_anonymous": "A3B4C12",
"energy": -101.30683561,
"energy_per_atom": -5.331938716315789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.30683561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.717000Z",
"spacegroup": 25
},
{
"id": "mp-1219757",
"created_at": "2022-09-04T14:44:12.783710Z",
"structure_string": "Rb6 Mo4 Cl16\n1.0\n3.645153 -6.401092 0.000000\n3.645153 6.401092 0.000000\n0.000000 0.000000 17.597284\nRb Mo Cl\n6 4 16\ndirect\n0.002438 0.000178 0.250000 Rb\n0.000178 0.002438 0.750000 Rb\n0.336083 0.669625 0.934688 Rb\n0.336083 0.669625 0.565312 Rb\n0.669625 0.336083 0.434688 Rb\n0.669625 0.336083 0.065312 Rb\n0.325929 0.648957 0.325940 Mo\n0.325929 0.648957 0.174060 Mo\n0.648957 0.325929 0.825940 Mo\n0.648957 0.325929 0.674060 Mo\n0.184158 0.351060 0.414947 Cl\n0.184254 0.833457 0.392813 Cl\n0.652639 0.856704 0.393066 Cl\n0.184158 0.351060 0.085053 Cl\n0.184254 0.833457 0.107187 Cl\n0.652639 0.856704 0.106934 Cl\n0.856704 0.652639 0.893066 Cl\n0.351060 0.184158 0.914947 Cl\n0.833457 0.184254 0.892813 Cl\n0.856704 0.652639 0.606934 Cl\n0.351060 0.184158 0.585053 Cl\n0.833457 0.184254 0.607187 Cl\n0.489720 0.481408 0.250000 Cl\n0.992547 0.456915 0.250000 Cl\n0.456915 0.992547 0.750000 Cl\n0.481408 0.489720 0.750000 Cl\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Rb",
"density": 2.9599867120144863,
"density_atomic": 0.03166123695939294,
"volume": 821.1934370519463,
"volume_molar": 19.020547958134692,
"formula_full": "Rb6 Mo4 Cl16",
"formula_reduced": "Rb3(MoCl4)2",
"formula_anonymous": "A2B3C8",
"energy": -121.35975246,
"energy_per_atom": -4.667682786923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.53575245999998,
"band_gap": 0.5133999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9995338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.540000Z",
"spacegroup": 40
},
{
"id": "mp-755227",
"created_at": "2022-09-04T14:44:12.621189Z",
"structure_string": "Co4 P4 H4 O20\n1.0\n5.299438 -0.035951 -0.067565\n2.445977 4.893546 4.605333\n1.362299 -8.778312 4.629014\nCo P H O\n4 4 4 20\ndirect\n0.250004 0.749989 0.249994 Co\n0.749993 0.250013 0.750009 Co\n0.000186 0.999718 0.000706 Co\n0.499847 0.500266 0.499292 Co\n0.884420 0.453018 0.220707 P\n0.383166 0.950635 0.720809 P\n0.116826 0.549379 0.779195 P\n0.615590 0.046974 0.279298 P\n0.678816 0.331006 0.017733 H\n0.179513 0.830531 0.516473 H\n0.320512 0.669421 0.983522 H\n0.821113 0.169035 0.482283 H\n0.240652 0.805709 0.063087 O\n0.734836 0.304082 0.562689 O\n0.765135 0.195956 0.937337 O\n0.259353 0.694258 0.436883 O\n0.633886 0.539806 0.159557 O\n0.133449 0.036433 0.658470 O\n0.366553 0.463568 0.841524 O\n0.866097 0.960195 0.340447 O\n0.895756 0.464362 0.818272 O\n0.387443 0.967556 0.318066 O\n0.112589 0.532428 0.181943 O\n0.604234 0.035644 0.681700 O\n0.018614 0.209768 0.154688 O\n0.515957 0.707695 0.655394 O\n0.984032 0.792357 0.844608 O\n0.481425 0.290179 0.345312 O\n0.805705 0.511495 0.385799 O\n0.305278 0.012043 0.885895 O\n0.194735 0.487932 0.614072 O\n0.694285 0.988546 0.114236 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P",
"density": 3.3749479412415235,
"density_atomic": 0.0951339815360067,
"volume": 336.3677151248895,
"volume_molar": 6.330167898755205,
"formula_full": "Co4 P4 H4 O20",
"formula_reduced": "CoPHO5",
"formula_anonymous": "ABCD5",
"energy": -218.35082005,
"energy_per_atom": -6.8234631265625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.05882005,
"band_gap": 0.5879000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3685944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.547000Z",
"spacegroup": 2
},
{
"id": "mp-1224759",
"created_at": "2022-09-04T14:44:12.648678Z",
"structure_string": "Gd4 Fe2 Sb2 O14\n1.0\n-3.643315 3.683298 5.175512\n3.643315 -3.683298 5.175512\n3.643315 3.683298 -5.175512\nGd Fe Sb O\n4 2 2 14\ndirect\n0.000000 0.000000 0.500000 Gd\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.414198 0.164198 0.250000 O\n0.829307 0.579307 0.250000 O\n0.413749 0.577901 0.241635 O\n0.836265 0.172114 0.258365 O\n0.413749 0.172114 0.835849 O\n0.836265 0.577901 0.664151 O\n0.585802 0.835802 0.750000 O\n0.170693 0.420693 0.750000 O\n0.586251 0.422099 0.758365 O\n0.163735 0.827886 0.741635 O\n0.586251 0.827886 0.164151 O\n0.163735 0.422099 0.335849 O\n0.123362 0.873362 0.250000 O\n0.876638 0.126638 0.750000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Gd",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Gd-O-Sb",
"density": 7.221736092357808,
"density_atomic": 0.07919099333134212,
"volume": 277.80937041602766,
"volume_molar": 7.6045778776922655,
"formula_full": "Gd4 Fe2 Sb2 O14",
"formula_reduced": "Gd2FeSbO7",
"formula_anonymous": "ABC2D7",
"energy": -213.27792509,
"energy_per_atom": -9.694451140454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.14792509000003,
"band_gap": 1.8178,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 37.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.103000Z",
"spacegroup": 74
},
{
"id": "mp-1213312",
"created_at": "2022-09-04T14:44:12.668480Z",
"structure_string": "Cs2 Eu2 W4 O16\n1.0\n5.513367 5.501166 0.000000\n-5.513367 5.501166 0.000000\n0.000000 4.888450 5.866675\nCs Eu W O\n2 2 4 16\ndirect\n0.198272 0.801728 0.250000 Cs\n0.801728 0.198272 0.750000 Cs\n0.774399 0.225601 0.250000 Eu\n0.225601 0.774399 0.750000 Eu\n0.696048 0.686314 0.278343 W\n0.303952 0.313686 0.721657 W\n0.313686 0.303952 0.221657 W\n0.686314 0.696048 0.778343 W\n0.621421 0.749422 0.062339 O\n0.378579 0.250578 0.937661 O\n0.250578 0.378579 0.437661 O\n0.749422 0.621421 0.562339 O\n0.380567 0.072762 0.367096 O\n0.619433 0.927238 0.632904 O\n0.927238 0.619433 0.132904 O\n0.072762 0.380567 0.867096 O\n0.582651 0.373228 0.469800 O\n0.417349 0.626772 0.530200 O\n0.626772 0.417349 0.030200 O\n0.373228 0.582651 0.969800 O\n0.785941 0.942948 0.197536 O\n0.214059 0.057052 0.802464 O\n0.057052 0.214059 0.302464 O\n0.942948 0.785941 0.697536 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cs",
"Eu",
"W",
"O"
],
"chemical_system": "Cs-Eu-O-W",
"density": 7.284221899207418,
"density_atomic": 0.06744000028054406,
"volume": 355.87188464060284,
"volume_molar": 8.929627424300802,
"formula_full": "Cs2 Eu2 W4 O16",
"formula_reduced": "CsEu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -212.38169574,
"energy_per_atom": -8.8492373225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.63769574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.308000Z",
"spacegroup": 15
},
{
"id": "mp-1045777",
"created_at": "2022-09-04T14:44:12.673900Z",
"structure_string": "Ba4 Zn2 Cu2 Sn4 F28\n1.0\n5.466251 0.000000 0.000000\n-2.619267 7.392672 0.000000\n-0.407330 -0.169117 15.515571\nBa Zn Cu Sn F\n4 2 2 4 28\ndirect\n0.085077 0.349744 0.616055 Ba\n0.265753 0.349488 0.132359 Ba\n0.896234 0.628155 0.371324 Ba\n0.737345 0.646087 0.876427 Ba\n0.471047 0.002211 0.751285 Zn\n0.521845 0.010613 0.258038 Zn\n0.507459 0.001339 0.003133 Cu\n0.500543 0.014160 0.496598 Cu\n0.106091 0.246831 0.874951 Sn\n0.149746 0.230918 0.378147 Sn\n0.904318 0.755926 0.122648 Sn\n0.856480 0.759340 0.626698 Sn\n0.798188 0.946261 0.312712 F\n0.860697 0.319488 0.462340 F\n0.115810 0.699136 0.551913 F\n0.622000 0.504034 0.603573 F\n0.631598 0.074583 0.639494 F\n0.547242 0.923011 0.869459 F\n0.432802 0.307958 0.952885 F\n0.919182 0.007011 0.146332 F\n0.355850 0.347333 0.777483 F\n0.381741 0.518700 0.402638 F\n0.811511 0.238939 0.789477 F\n0.134204 0.508811 0.897977 F\n0.471643 0.248339 0.270137 F\n0.187131 0.767972 0.211295 F\n0.459111 0.065919 0.125862 F\n0.642420 0.640942 0.212477 F\n0.094213 0.827570 0.010689 F\n0.115917 0.995483 0.672109 F\n0.899827 0.167780 0.982477 F\n0.729185 0.848650 0.518108 F\n0.581536 0.700211 0.042262 F\n0.586393 0.764500 0.716395 F\n0.009081 0.373133 0.268866 F\n0.281900 0.166575 0.521053 F\n0.333125 0.923493 0.374482 F\n0.115792 0.998863 0.839802 F\n0.008112 0.650197 0.726096 F\n0.884919 0.501278 0.092632 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"Cu",
"Sn",
"F"
],
"chemical_system": "Ba-Cu-F-Sn-Zn",
"density": 4.804307440988454,
"density_atomic": 0.06379714159718408,
"volume": 626.987338281713,
"volume_molar": 9.43951501467553,
"formula_full": "Ba4 Zn2 Cu2 Sn4 F28",
"formula_reduced": "Ba2ZnCuSn2F14",
"formula_anonymous": "ABC2D2E14",
"energy": -206.87139739,
"energy_per_atom": -5.17178493475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.93539739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1201082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.372000Z",
"spacegroup": 1
},
{
"id": "mp-1214092",
"created_at": "2022-09-04T14:44:12.685224Z",
"structure_string": "Ca2 Tm4 S8\n1.0\n1.927855 -6.375584 0.000000\n1.927856 6.375584 0.000000\n0.000000 0.000000 13.185396\nCa Tm S\n2 4 8\ndirect\n0.886153 0.113847 0.015259 Ca\n0.113847 0.886153 0.515259 Ca\n0.357779 0.642221 0.324506 Tm\n0.642221 0.357779 0.824506 Tm\n0.625926 0.374074 0.181181 Tm\n0.374074 0.625926 0.681181 Tm\n0.540950 0.459050 0.998596 S\n0.459050 0.540950 0.498596 S\n0.736412 0.263588 0.637543 S\n0.263588 0.736412 0.137543 S\n0.720074 0.279926 0.370291 S\n0.279926 0.720074 0.870291 S\n0.986039 0.013961 0.239924 S\n0.013961 0.986039 0.739924 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Tm",
"S"
],
"chemical_system": "Ca-S-Tm",
"density": 5.186675981035067,
"density_atomic": 0.04319270583642314,
"volume": 324.1288020486601,
"volume_molar": 13.942494787908624,
"formula_full": "Ca2 Tm4 S8",
"formula_reduced": "Ca(TmS2)2",
"formula_anonymous": "AB2C4",
"energy": -88.25112199,
"energy_per_atom": -6.303651570714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.22712199,
"band_gap": 1.4526,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.743000Z",
"spacegroup": 36
},
{
"id": "mp-1214072",
"created_at": "2022-09-04T14:44:12.690835Z",
"structure_string": "Ce6 Cr20 N22\n1.0\n0.000000 6.356748 6.356748\n6.356748 0.000000 6.356748\n6.356748 6.356748 0.000000\nCe Cr N\n6 20 22\ndirect\n0.694030 0.305970 0.305970 Ce\n0.305970 0.694030 0.694030 Ce\n0.305970 0.694030 0.305970 Ce\n0.694030 0.305970 0.694030 Ce\n0.305970 0.305970 0.694030 Ce\n0.694030 0.694030 0.305970 Ce\n0.098421 0.098421 0.098421 Cr\n0.901579 0.901579 0.901579 Cr\n0.098421 0.098421 0.704738 Cr\n0.098421 0.704738 0.098421 Cr\n0.901579 0.901579 0.295262 Cr\n0.901579 0.295262 0.901579 Cr\n0.704738 0.098421 0.098421 Cr\n0.295262 0.901579 0.901579 Cr\n0.390391 0.109609 0.109609 Cr\n0.609609 0.890391 0.890391 Cr\n0.109609 0.390391 0.390391 Cr\n0.109609 0.390391 0.109609 Cr\n0.609609 0.890391 0.609609 Cr\n0.890391 0.609609 0.609609 Cr\n0.890391 0.609609 0.890391 Cr\n0.390391 0.109609 0.390391 Cr\n0.109609 0.109609 0.390391 Cr\n0.890391 0.890391 0.609609 Cr\n0.390391 0.390391 0.109609 Cr\n0.609609 0.609609 0.890391 Cr\n0.345802 0.000000 0.000000 N\n0.654198 0.000000 0.000000 N\n0.000000 0.345802 0.654198 N\n0.000000 0.654198 0.345802 N\n0.000000 0.345802 0.000000 N\n0.654198 0.000000 0.345802 N\n0.000000 0.654198 0.000000 N\n0.345802 0.000000 0.654198 N\n0.000000 0.000000 0.345802 N\n0.000000 0.000000 0.654198 N\n0.654198 0.345802 0.000000 N\n0.345802 0.654198 0.000000 N\n0.361946 0.361946 0.361946 N\n0.638054 0.638054 0.638054 N\n0.361946 0.361946 0.914162 N\n0.361946 0.914162 0.361946 N\n0.638054 0.638054 0.085838 N\n0.638054 0.085838 0.638054 N\n0.914162 0.361946 0.361946 N\n0.085838 0.638054 0.638054 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"N"
],
"chemical_system": "Ce-Cr-N",
"density": 7.074786384555646,
"density_atomic": 0.09343428283970297,
"volume": 513.7300628972495,
"volume_molar": 6.445322398772688,
"formula_full": "Ce6 Cr20 N22",
"formula_reduced": "Ce3Cr10N11",
"formula_anonymous": "A3B10C11",
"energy": -458.12565895,
"energy_per_atom": -9.544284561458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -450.18365895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7937916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.475000Z",
"spacegroup": 225
},
{
"id": "mp-504691",
"created_at": "2022-09-04T14:44:19.347174Z",
"structure_string": "Li2 Mn2 P2\n1.0\n3.813839 0.000000 0.000000\n0.000000 3.813839 0.000000\n0.000000 0.000000 5.761524\nLi Mn P\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.783912 P\n0.000000 0.500000 0.216088 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"P"
],
"chemical_system": "Li-Mn-P",
"density": 3.6796968762571054,
"density_atomic": 0.07159606672077395,
"volume": 83.80348634793188,
"volume_molar": 8.411273182766402,
"formula_full": "Li2 Mn2 P2",
"formula_reduced": "LiMnP",
"formula_anonymous": "ABC",
"energy": -35.98501796,
"energy_per_atom": -5.997502993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.98501796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8395168,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.991000Z",
"spacegroup": 129
},
{
"id": "mp-1209275",
"created_at": "2022-09-04T14:44:12.667557Z",
"structure_string": "Sc8 Nb12 Ge16\n1.0\n6.780299 0.000000 0.000000\n0.000000 7.006241 0.000000\n0.000000 0.000000 13.348180\nSc Nb Ge\n8 12 16\ndirect\n0.343266 0.333441 0.624408 Sc\n0.656734 0.666559 0.375592 Sc\n0.156734 0.833441 0.375592 Sc\n0.656734 0.666559 0.124408 Sc\n0.843266 0.166559 0.624408 Sc\n0.343266 0.333441 0.875592 Sc\n0.843266 0.166559 0.875592 Sc\n0.156734 0.833441 0.124408 Sc\n0.168352 0.997222 0.750000 Nb\n0.831648 0.002778 0.250000 Nb\n0.331648 0.497222 0.250000 Nb\n0.668352 0.502778 0.750000 Nb\n0.008639 0.678088 0.591495 Nb\n0.991361 0.321912 0.408505 Nb\n0.491361 0.178088 0.408505 Nb\n0.991361 0.321912 0.091495 Nb\n0.508639 0.821912 0.591495 Nb\n0.008639 0.678088 0.908505 Nb\n0.508639 0.821912 0.908505 Nb\n0.491361 0.178088 0.091495 Nb\n0.188568 0.034495 0.541008 Ge\n0.811432 0.965505 0.458992 Ge\n0.311432 0.534495 0.458992 Ge\n0.811432 0.965505 0.041008 Ge\n0.688568 0.465505 0.541008 Ge\n0.188568 0.034495 0.958992 Ge\n0.688568 0.465505 0.958992 Ge\n0.311432 0.534495 0.041008 Ge\n0.036436 0.397521 0.750000 Ge\n0.963564 0.602479 0.250000 Ge\n0.463564 0.897521 0.250000 Ge\n0.536436 0.102479 0.750000 Ge\n0.308908 0.651614 0.750000 Ge\n0.691092 0.348386 0.250000 Ge\n0.191092 0.151614 0.250000 Ge\n0.808908 0.848386 0.750000 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sc",
"Nb",
"Ge"
],
"chemical_system": "Ge-Nb-Sc",
"density": 6.905010794553117,
"density_atomic": 0.05677361237560842,
"volume": 634.0974000707878,
"volume_molar": 10.607288329934216,
"formula_full": "Sc8 Nb12 Ge16",
"formula_reduced": "Sc2Nb3Ge4",
"formula_anonymous": "A2B3C4",
"energy": -265.97061208,
"energy_per_atom": -7.388072557777779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.97061208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0987368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.949000Z",
"spacegroup": 62
}
]
}