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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3539",
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"results": [
{
"id": "jvasp-111025",
"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
"nsites": 10,
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],
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"volume": 237.91113622502996,
"volume_molar": 14.327343507186656,
"formula_full": "Mn1 Zn4 Se5",
"formula_reduced": "MnZn4Se5",
"formula_anonymous": "AB4C5",
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"spacegroup": 8
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{
"id": "jvasp-110412",
"created_at": "2022-09-04T14:38:38.985770Z",
"updated_at": "2022-09-04T14:38:38.985800Z",
"structure_string": "Ce1 Pm1 Mg2\n1.0\n4.679992 0.000000 2.701994\n1.559997 4.412339 2.701994\n0.000000 0.000000 5.403989\nCe Pm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ce\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.9660455834393975,
"density_atomic": 0.03584524494271748,
"volume": 111.59081229301692,
"volume_molar": 16.800389478782158,
"formula_full": "Ce1 Pm1 Mg2",
"formula_reduced": "CePmMg2",
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"spacegroup": 225
},
{
"id": "jvasp-37718",
"created_at": "2022-09-04T14:37:57.417381Z",
"updated_at": "2022-09-04T14:37:57.417400Z",
"structure_string": "Pm2 Zn1 Ag1\n1.0\n0.000000 3.677701 3.677701\n3.677701 -0.000000 3.677701\n3.677701 3.677701 0.000000\nPm Zn Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Zn\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ag"
],
"chemical_system": "Ag-Pm-Zn",
"density": 7.732693124545602,
"density_atomic": 0.04020691410325439,
"volume": 99.48537681175179,
"volume_molar": 14.977873568050233,
"formula_full": "Pm2 Zn1 Ag1",
"formula_reduced": "Pm2ZnAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.519728848125,
"spacegroup": 225
},
{
"id": "jvasp-107760",
"created_at": "2022-09-04T14:35:43.542821Z",
"updated_at": "2022-09-04T14:35:43.542850Z",
"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.379793 0.020761 -4.232836\n-1.230530 5.114258 -4.380601\n0.043268 -0.020761 6.845232\nGa Ag Se S\n2 2 2 2\ndirect\n0.126631 0.376631 0.750000 Ga\n0.373369 0.123369 0.250000 Ga\n0.644623 0.894624 0.750000 Ag\n0.855376 0.605377 0.249999 Ag\n0.250000 0.018786 0.768786 Se\n0.750000 0.481214 0.731213 Se\n0.456041 0.750000 0.206041 S\n0.043959 0.250000 0.293959 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.075613498270203,
"density_atomic": 0.042362222135143006,
"volume": 188.84750602738876,
"volume_molar": 14.215828293398545,
"formula_full": "Ga2 Ag2 Se2 S2",
"formula_reduced": "GaAgSeS",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5196532379166666,
"spacegroup": 24
},
{
"id": "jvasp-14342",
"created_at": "2022-09-04T14:36:57.544958Z",
"updated_at": "2022-09-04T14:36:57.544966Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 -0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-18444",
"created_at": "2022-09-04T14:35:57.478487Z",
"updated_at": "2022-09-04T14:35:57.478524Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-52370",
"created_at": "2022-09-04T14:35:47.442441Z",
"updated_at": "2022-09-04T14:35:47.442459Z",
"structure_string": "Sb4 O4 F4\n1.0\n4.080993 -0.000000 0.000000\n-0.000000 6.137884 0.000000\n0.000000 0.000000 8.249157\nSb O F\n4 4 4\ndirect\n0.749999 0.212664 0.038433 Sb\n0.250000 0.287335 0.538433 Sb\n0.749999 0.712664 0.461567 Sb\n0.250000 0.787335 0.961568 Sb\n0.749999 -0.091662 0.941392 O\n0.250000 0.591661 0.441392 O\n0.749999 0.408338 0.558608 O\n0.250000 0.091662 0.058608 O\n0.749999 0.130711 0.273770 F\n0.250000 0.369289 0.773770 F\n0.749999 0.630711 0.226230 F\n0.250000 0.869288 0.726230 F\n",
"nsites": 12,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.038997720481692,
"density_atomic": 0.05807472346463706,
"volume": 206.6303424984375,
"volume_molar": 10.369641731771674,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5192299608333335,
"spacegroup": 62
},
{
"id": "jvasp-119560",
"created_at": "2022-09-04T14:38:50.268468Z",
"updated_at": "2022-09-04T14:38:50.268495Z",
"structure_string": "Sm4 Ga4 Pd4\n1.0\n4.508330 -0.000000 0.000000\n0.000000 7.071324 0.000000\n-0.000000 -0.000000 7.711077\nSm Ga Pd\n4 4 4\ndirect\n0.250000 0.017597 0.300331 Sm\n0.250000 0.517597 0.199669 Sm\n0.750000 0.982402 0.699669 Sm\n0.750000 0.482403 0.800332 Sm\n0.250000 0.677963 0.578519 Ga\n0.250000 0.177963 0.921482 Ga\n0.750000 0.322037 0.421482 Ga\n0.750000 0.822036 0.078519 Ga\n0.250000 0.285562 0.593459 Pd\n0.250000 0.785562 0.906542 Pd\n0.750000 0.714438 0.406542 Pd\n0.750000 0.214438 0.093458 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sm",
"density": 8.82195403115859,
"density_atomic": 0.048814604128212626,
"volume": 245.82807162548605,
"volume_molar": 12.336760417400324,
"formula_full": "Sm4 Ga4 Pd4",
"formula_reduced": "SmGaPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5190622999999998,
"spacegroup": 62
},
{
"id": "jvasp-103085",
"created_at": "2022-09-04T14:37:13.305012Z",
"updated_at": "2022-09-04T14:37:13.305042Z",
"structure_string": "In1 Sn2 Te3\n1.0\n4.498546 0.000000 0.000000\n-2.249272 3.895854 -0.000000\n0.000000 -0.000000 11.086912\nIn Sn Te\n1 2 3\ndirect\n0.000000 0.000000 0.000000 In\n0.333333 0.666666 0.668961 Sn\n0.666668 0.333333 0.331039 Sn\n0.333333 0.666666 0.167303 Te\n0.666668 0.333333 0.832696 Te\n-0.000000 0.000000 0.500000 Te\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.281645882799375,
"density_atomic": 0.03087918370786151,
"volume": 194.30565447468302,
"volume_molar": 19.50226669517442,
"formula_full": "In1 Sn2 Te3",
"formula_reduced": "InSn2Te3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5190377783333333,
"spacegroup": 164
},
{
"id": "jvasp-105953",
"created_at": "2022-09-04T14:35:43.427393Z",
"updated_at": "2022-09-04T14:35:43.427410Z",
"structure_string": "Zn2 Ge1 S3\n1.0\n3.844483 -0.000000 0.000000\n-1.922241 3.329420 -0.000000\n-0.000000 0.000000 10.536268\nZn Ge S\n2 1 3\ndirect\n0.666667 0.333333 0.352370 Zn\n0.333333 0.666667 0.648825 Zn\n0.000000 0.000000 0.001378 Ge\n0.000000 0.000000 0.283557 S\n0.666667 0.333333 0.583482 S\n0.333333 0.666667 0.880389 S\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.6895584076201358,
"density_atomic": 0.04448953972883636,
"volume": 134.86316191558703,
"volume_molar": 13.536082406572271,
"formula_full": "Zn2 Ge1 S3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 156
},
{
"id": "jvasp-81122",
"created_at": "2022-09-04T14:37:12.182119Z",
"updated_at": "2022-09-04T14:37:12.182143Z",
"structure_string": "Na1 Cd1 Pd2\n1.0\n-10.952924 2.483377 -2.268068\n-7.487451 1.407042 1.034061\n-6.604828 3.904647 -0.494839\nNa Cd Pd\n1 1 2\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 -0.000001 0.000001 Cd\n0.771688 -0.015505 -0.015522 Pd\n0.228312 0.015503 0.015524 Pd\n",
"nsites": 4,
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],
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"density": 8.153898241496933,
"density_atomic": 0.05640226797282162,
"volume": 70.91913399524053,
"volume_molar": 10.677125187415992,
"formula_full": "Na1 Cd1 Pd2",
"formula_reduced": "NaCdPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-90105",
"created_at": "2022-09-04T14:35:43.417914Z",
"updated_at": "2022-09-04T14:35:43.417940Z",
"structure_string": "Eu3 In3 Pd3\n1.0\n0.000000 0.000000 -3.909411\n-3.863976 -6.692604 0.000000\n-3.863845 6.692528 0.000000\nEu In Pd\n3 3 3\ndirect\n0.500000 0.591825 0.000000 Eu\n0.500000 0.408152 0.408164 Eu\n0.500000 0.999988 0.591837 Eu\n0.000000 0.258129 0.000000 In\n0.000000 0.741849 0.741861 In\n0.000000 0.999989 0.258140 In\n0.000000 0.333320 0.666666 Pd\n0.000000 0.666655 0.333335 Pd\n0.500000 0.999989 0.000001 Pd\n",
"nsites": 9,
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],
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"density": 9.195032474611855,
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"volume": 202.19064014542687,
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"formula_full": "Eu3 In3 Pd3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
}
]
}