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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=100",
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"results": [
{
"id": "jvasp-2427",
"created_at": "2022-09-04T14:36:34.610747Z",
"updated_at": "2022-09-04T14:36:34.610774Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n5.208660 0.000000 -2.463397\n-1.165045 5.076694 -2.463397\n-0.040371 -0.050685 6.652992\nGa Ag S\n2 2 4\ndirect\n0.499999 0.500000 -0.000001 Ga\n0.750000 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.839015 0.875000 0.249999 S\n0.625000 0.160985 0.750000 S\n0.410984 0.375000 0.249999 S\n0.125000 0.589016 0.749999 S\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ag-Ga-S",
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"volume": 174.62287737272342,
"volume_molar": 13.145044343184495,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
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"spacegroup": 122
},
{
"id": "jvasp-114653",
"created_at": "2022-09-04T14:38:42.541253Z",
"updated_at": "2022-09-04T14:38:42.541283Z",
"structure_string": "Ga1 Ag1 S1\n1.0\n4.686601 0.000000 0.000000\n-2.343301 4.058716 -0.000000\n-0.000000 -0.000000 3.627368\nGa Ag S\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Ga\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333334 0.000000 S\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ag-Ga-S",
"density": 5.045666543771602,
"density_atomic": 0.043479344992109856,
"volume": 68.99827954042101,
"volume_molar": 13.850578386341446,
"formula_full": "Ga1 Ag1 S1",
"formula_reduced": "GaAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3998198616666668,
"spacegroup": 187
},
{
"id": "jvasp-12851",
"created_at": "2022-09-04T14:37:52.200400Z",
"updated_at": "2022-09-04T14:37:52.200420Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n5.152579 -0.034218 2.577469\n-1.255870 4.997302 2.577469\n-0.107388 -0.136777 6.650229\nGa Ag S\n2 2 4\ndirect\n0.619405 0.369455 0.993762 Ga\n0.369456 0.619405 0.493762 Ga\n0.119378 0.869876 0.993725 Ag\n0.869877 0.119378 0.493724 Ag\n0.494666 0.280449 0.743575 S\n0.708302 0.994463 0.243943 S\n0.280450 0.494666 0.243575 S\n0.994464 0.708301 0.743943 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ag-Ga-S",
"density": 4.597720784639411,
"density_atomic": 0.045818276179076724,
"volume": 174.60281501496695,
"volume_molar": 13.143534113904657,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6323248962500001,
"spacegroup": 122
},
{
"id": "jvasp-91938",
"created_at": "2022-09-04T14:36:20.488820Z",
"updated_at": "2022-09-04T14:36:20.488847Z",
"structure_string": "Ga2 Ag2 S4\n1.0\n-5.761812 0.000000 0.000000\n0.000000 5.761812 -0.000000\n2.880906 -2.880906 -5.259408\nGa Ag S\n2 2 4\ndirect\n0.250000 0.749999 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.749999 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.875000 0.839004 0.250000 S\n0.375000 0.410995 0.250000 S\n0.589004 0.125000 0.750000 S\n0.160995 0.624999 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"S"
],
"chemical_system": "Ag-Ga-S",
"density": 4.59768067383675,
"density_atomic": 0.04581787645757989,
"volume": 174.6043382740956,
"volume_molar": 13.143648779915738,
"formula_full": "Ga2 Ag2 S4",
"formula_reduced": "GaAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6323248962500001,
"spacegroup": 122
},
{
"id": "jvasp-41866",
"created_at": "2022-09-04T14:37:39.255393Z",
"updated_at": "2022-09-04T14:37:39.255402Z",
"structure_string": "Sc2 Ga1 Ag1\n1.0\n-0.000000 3.385126 3.385126\n3.385126 0.000000 3.385126\n3.385126 3.385126 0.000000\nSc Ga Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.750001 0.750001 0.750001 Ga\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga-Sc",
"density": 5.725630032956459,
"density_atomic": 0.05155911809066199,
"volume": 77.58084599054557,
"volume_molar": 11.680069370873676,
"formula_full": "Sc2 Ga1 Ag1",
"formula_reduced": "Sc2GaAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.00016752125,
"spacegroup": 225
},
{
"id": "jvasp-2448",
"created_at": "2022-09-04T14:36:44.856489Z",
"updated_at": "2022-09-04T14:36:44.856520Z",
"structure_string": "Ga2 Ag2 Se4\n1.0\n5.429223 -0.000000 -2.618608\n-1.263000 5.280275 -2.618608\n0.040062 0.050775 7.020634\nGa Ag Se\n2 2 4\ndirect\n0.500000 0.500000 -0.000001 Ga\n0.749999 0.249999 0.499999 Ga\n0.249999 0.749999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.846589 0.874999 0.249999 Se\n0.624999 0.153409 0.749999 Se\n0.403410 0.374999 0.249999 Se\n0.124999 0.596589 0.749999 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-Se",
"density": 5.496818230540813,
"density_atomic": 0.039465285365007735,
"volume": 202.70979738292417,
"volume_molar": 15.259336665888112,
"formula_full": "Ga2 Ag2 Se4",
"formula_reduced": "GaAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4112440795833333,
"spacegroup": 122
},
{
"id": "jvasp-114656",
"created_at": "2022-09-04T14:38:42.764423Z",
"updated_at": "2022-09-04T14:38:42.764452Z",
"structure_string": "Ga1 Ag1 Se1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nGa Ag Se\n1 1 1\ndirect\n0.322689 -0.000088 0.000000 Ga\n-0.008642 -0.066056 0.000000 Ag\n-0.000031 0.338172 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ag",
"Se"
],
"chemical_system": "Ag-Ga-Se",
"density": 2.132132885927393,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Ga1 Ag1 Se1",
"formula_reduced": "GaAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.587120983888889,
"spacegroup": 6
},
{
"id": "jvasp-114658",
"created_at": "2022-09-04T14:38:41.614301Z",
"updated_at": "2022-09-04T14:38:41.614332Z",
"structure_string": "Ga1 Ag1 Se1\n1.0\n4.828742 0.000000 -0.000000\n-2.414371 4.181813 0.000000\n0.000000 -0.000000 3.843169\nGa Ag Se\n1 1 1\ndirect\n0.333333 0.666665 0.000000 Ga\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333333 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-Se",
"density": 5.489528639969982,
"density_atomic": 0.03865744637410581,
"volume": 77.60471219354808,
"volume_molar": 15.578216682294496,
"formula_full": "Ga1 Ag1 Se1",
"formula_reduced": "GaAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.245840983888889,
"spacegroup": 187
},
{
"id": "jvasp-102756",
"created_at": "2022-09-04T14:37:11.592145Z",
"updated_at": "2022-09-04T14:37:11.592172Z",
"structure_string": "Ga1 Ag1 Se2\n1.0\n4.007063 0.000000 0.000000\n0.000000 4.007063 0.000000\n0.000000 -0.000000 6.361776\nGa Ag Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.271962 Se\n0.500000 0.000000 0.728039 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
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],
"chemical_system": "Ag-Ga-Se",
"density": 5.454128995846297,
"density_atomic": 0.0391587911789944,
"volume": 102.1481991544643,
"volume_molar": 15.378770842217424,
"formula_full": "Ga1 Ag1 Se2",
"formula_reduced": "GaAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4153840795833333,
"spacegroup": 115
},
{
"id": "jvasp-101720",
"created_at": "2022-09-04T14:36:42.763630Z",
"updated_at": "2022-09-04T14:36:42.763648Z",
"structure_string": "Ga1 Ag1 Sn1 Se4\n1.0\n5.377381 0.080614 -4.359982\n-1.172184 5.248687 -4.359982\n-0.063610 -0.080614 6.922545\nGa Ag Sn Se\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250001 0.750001 0.500001 Ag\n0.750000 0.250000 0.500000 Sn\n0.659528 0.650163 0.520769 Se\n0.129394 0.138760 0.479232 Se\n0.861241 0.340472 0.990635 Se\n0.349838 0.870606 0.009366 Se\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Ga-Se-Sn",
"density": 5.285873900968978,
"density_atomic": 0.03640106837698921,
"volume": 192.30204804716726,
"volume_molar": 16.543857168233203,
"formula_full": "Ga1 Ag1 Sn1 Se4",
"formula_reduced": "GaAgSnSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.8018863930952382,
"spacegroup": 82
},
{
"id": "jvasp-109402",
"created_at": "2022-09-04T14:38:19.080500Z",
"updated_at": "2022-09-04T14:38:19.080528Z",
"structure_string": "Ga2 Ag2 Te2 Se2\n1.0\n5.688247 0.022016 -4.607083\n-1.260515 5.442686 -4.729706\n0.032202 -0.022016 7.319859\nGa Ag Te Se\n2 2 2 2\ndirect\n0.130922 0.880923 0.250000 Ga\n0.369077 0.619077 0.750000 Ga\n0.639401 0.389401 0.250000 Ag\n0.860599 0.110599 0.750001 Ag\n0.250000 0.510323 0.260323 Te\n0.750000 0.989678 0.239677 Te\n0.466242 0.250000 0.716243 Se\n0.033756 0.750000 0.783757 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Te",
"Se"
],
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"density": 5.6225979413644245,
"density_atomic": 0.03525703030627952,
"volume": 226.90510035881113,
"volume_molar": 17.08068066903359,
"formula_full": "Ga2 Ag2 Te2 Se2",
"formula_reduced": "GaAgTeSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.3143251795833334,
"spacegroup": 24
},
{
"id": "jvasp-105503",
"created_at": "2022-09-04T14:36:48.661201Z",
"updated_at": "2022-09-04T14:36:48.661221Z",
"structure_string": "Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n",
"nsites": 8,
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"elements": [
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"Te",
"Se"
],
"chemical_system": "Ag-Ga-Se-Te",
"density": 5.547450204164471,
"density_atomic": 0.037136886406864224,
"volume": 215.41924415400948,
"volume_molar": 16.216062633853152,
"formula_full": "Ga2 Ag2 Te1 Se3",
"formula_reduced": "Ga2Ag2TeSe3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.4853858795833333,
"spacegroup": 5
}
]
}