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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3837",
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"results": [
{
"id": "jvasp-22664",
"created_at": "2022-09-04T14:37:07.989677Z",
"updated_at": "2022-09-04T14:37:07.989699Z",
"structure_string": "Se4 Br4\n1.0\n4.075323 -0.077307 -0.000000\n-1.031978 3.943253 -0.000000\n0.000000 0.000000 14.938059\nSe Br\n4 4\ndirect\n0.686847 0.955995 0.550403 Se\n0.455996 0.186848 0.050403 Se\n0.186848 0.455996 0.949597 Se\n0.955995 0.686847 0.449597 Se\n0.932842 0.049511 0.831035 Br\n0.432842 0.549511 0.668965 Br\n0.049511 0.932842 0.168965 Br\n0.549511 0.432842 0.331035 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Br"
],
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"density": 4.417587330472617,
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"volume": 238.8633057294825,
"volume_molar": 17.980855618773226,
"formula_full": "Se4 Br4",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
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"spacegroup": 41
},
{
"id": "jvasp-123648",
"created_at": "2022-09-04T14:38:52.411148Z",
"updated_at": "2022-09-04T14:38:52.411167Z",
"structure_string": "Se2 Br1\n1.0\n1.917583 -3.553065 -0.046657\n2.118254 3.668922 -0.000000\n-0.034758 0.020068 5.510294\nSe Br\n2 1\ndirect\n0.719751 0.693208 0.546595 Se\n0.280246 -0.026544 0.786736 Se\n-0.000000 0.333334 0.166667 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
"chemical_system": "Br-Se",
"density": 4.922199122339968,
"density_atomic": 0.03739173839527144,
"volume": 80.23162679110366,
"volume_molar": 16.105538331327114,
"formula_full": "Se2 Br1",
"formula_reduced": "Se2Br",
"formula_anonymous": "AB2",
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"spacegroup": 12
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{
"id": "jvasp-33799",
"created_at": "2022-09-04T14:38:07.426950Z",
"updated_at": "2022-09-04T14:38:07.426975Z",
"structure_string": "Se2 Br4\n1.0\n7.588379 0.000000 0.000000\n-0.000000 7.588379 0.000000\n0.000000 0.000000 3.660556\nSe Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Se\n0.499999 0.499999 0.500003 Se\n0.322965 0.322965 0.000000 Br\n0.677035 0.677035 0.000000 Br\n0.822964 0.177035 0.500003 Br\n0.177035 0.822964 0.500003 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 3.761924996898829,
"density_atomic": 0.02846467097900432,
"volume": 210.78761122605735,
"volume_molar": 21.15654442112456,
"formula_full": "Se2 Br4",
"formula_reduced": "SeBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3680338588888889,
"spacegroup": 136
},
{
"id": "jvasp-39174",
"created_at": "2022-09-04T14:37:47.127975Z",
"updated_at": "2022-09-04T14:37:47.127997Z",
"structure_string": "Sc1 Zn3\n1.0\n0.000000 3.183489 3.183489\n3.183489 0.000000 3.183489\n3.183489 3.183489 0.000000\nSc Zn\n1 3\ndirect\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n0.250000 0.250000 0.250000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Zn"
],
"chemical_system": "Sc-Zn",
"density": 6.20662598794542,
"density_atomic": 0.06198975714663919,
"volume": 64.5267893296927,
"volume_molar": 9.714735203356888,
"formula_full": "Sc1 Zn3",
"formula_reduced": "ScZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0049975,
"spacegroup": 225
},
{
"id": "jvasp-16618",
"created_at": "2022-09-04T14:37:55.545764Z",
"updated_at": "2022-09-04T14:37:55.545796Z",
"structure_string": "Sc1 Zn1\n1.0\n3.336651 -0.000000 0.000000\n0.000000 3.336651 0.000000\n0.000000 0.000000 3.336651\nSc Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Zn"
],
"chemical_system": "Sc-Zn",
"density": 4.933416340693046,
"density_atomic": 0.053839081829929206,
"volume": 37.1477360315643,
"volume_molar": 11.1854447648702,
"formula_full": "Sc1 Zn1",
"formula_reduced": "ScZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5458034166666668,
"spacegroup": 221
},
{
"id": "jvasp-41836",
"created_at": "2022-09-04T14:37:33.858001Z",
"updated_at": "2022-09-04T14:37:33.858026Z",
"structure_string": "Sc2 Zn6\n1.0\n2.950435 -5.110303 0.000000\n2.950435 5.110303 -0.000000\n0.000000 0.000000 4.383636\nSc Zn\n2 6\ndirect\n0.333332 0.666666 0.750001 Sc\n0.666666 0.333332 0.250000 Sc\n0.319674 0.159837 0.750001 Zn\n0.840162 0.159836 0.750001 Zn\n0.680325 0.840162 0.250000 Zn\n0.159836 0.840162 0.250000 Zn\n0.159837 0.319674 0.250000 Zn\n0.840162 0.680325 0.750001 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Zn"
],
"chemical_system": "Sc-Zn",
"density": 6.059383565689349,
"density_atomic": 0.060519147830874996,
"volume": 132.1895678762127,
"volume_molar": 9.950802309426589,
"formula_full": "Sc2 Zn6",
"formula_reduced": "ScZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-21903",
"created_at": "2022-09-04T14:37:42.759439Z",
"updated_at": "2022-09-04T14:37:42.759463Z",
"structure_string": "Sc4 Zn8\n1.0\n2.633971 -4.562171 -0.000000\n2.633971 4.562171 0.000000\n0.000000 -0.000000 8.430183\nSc Zn\n4 8\ndirect\n0.333333 0.666667 0.438000 Sc\n0.666667 0.333333 0.938000 Sc\n0.666667 0.333333 0.562000 Sc\n0.333333 0.666667 0.062000 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.171422 0.828577 0.750000 Zn\n0.828577 0.657156 0.250000 Zn\n0.342844 0.171422 0.250000 Zn\n0.657156 0.828577 0.750000 Zn\n0.171422 0.342844 0.750000 Zn\n0.828577 0.171422 0.250000 Zn\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Sc-Zn",
"density": 5.762540101766549,
"density_atomic": 0.05922863167540262,
"volume": 202.60471431730787,
"volume_molar": 10.167617568820127,
"formula_full": "Sc4 Zn8",
"formula_reduced": "ScZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.265956138888889,
"spacegroup": 194
},
{
"id": "jvasp-122984",
"created_at": "2022-09-04T14:38:55.367847Z",
"updated_at": "2022-09-04T14:38:55.367864Z",
"structure_string": "Sc1 V1\n1.0\n3.286448 -0.000000 -0.000000\n-0.000000 3.286448 -0.000000\n0.000000 -0.000000 3.286448\nSc V\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"V"
],
"chemical_system": "Sc-V",
"density": 4.486169612908968,
"density_atomic": 0.05634426274508594,
"volume": 35.496071872453946,
"volume_molar": 10.688117062149722,
"formula_full": "Sc1 V1",
"formula_reduced": "ScV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-102981",
"created_at": "2022-09-04T14:36:39.642753Z",
"updated_at": "2022-09-04T14:36:39.642763Z",
"structure_string": "Sc6 V2\n1.0\n6.261812 0.000000 -0.000000\n-3.130906 5.422888 -0.000000\n-0.000000 0.000000 4.844507\nSc V\n6 2\ndirect\n0.172369 0.344740 0.250000 Sc\n0.655260 0.827631 0.250000 Sc\n0.172369 0.827631 0.250000 Sc\n0.827630 0.655260 0.750001 Sc\n0.344740 0.172369 0.750001 Sc\n0.827630 0.172369 0.750001 Sc\n0.333333 0.666667 0.750001 V\n0.666667 0.333333 0.250000 V\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"V"
],
"chemical_system": "Sc-V",
"density": 3.7511647917673856,
"density_atomic": 0.04863061252301996,
"volume": 164.5054336137159,
"volume_molar": 12.383435962582908,
"formula_full": "Sc6 V2",
"formula_reduced": "Sc3V",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0824149874999995,
"spacegroup": 194
},
{
"id": "jvasp-123527",
"created_at": "2022-09-04T14:38:54.514166Z",
"updated_at": "2022-09-04T14:38:54.514201Z",
"structure_string": "Sc1 U3\n1.0\n2.866171 0.000000 0.000000\n0.000000 5.708824 0.000000\n0.000000 0.000000 5.072137\nSc U\n1 3\ndirect\n0.000000 0.107378 0.750000 Sc\n0.500000 0.396040 0.250000 U\n0.500000 0.607494 0.750000 U\n0.000000 0.889086 0.250000 U\n",
"nsites": 4,
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"elements": [
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"U"
],
"chemical_system": "Sc-U",
"density": 15.187124214817452,
"density_atomic": 0.04819702858951708,
"volume": 82.9926681594227,
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"formula_full": "Sc1 U3",
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"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-95294",
"created_at": "2022-09-04T14:36:12.152686Z",
"updated_at": "2022-09-04T14:36:12.152718Z",
"structure_string": "Sc8 Te12\n1.0\n7.031736 0.003785 -1.309609\n-2.665714 6.506865 -1.309609\n-0.002114 -0.003153 13.028983\nSc Te\n8 12\ndirect\n0.207286 0.957284 0.914569 Sc\n0.042716 0.792715 0.585431 Sc\n0.792716 0.042716 0.085431 Sc\n0.957286 0.207285 0.414569 Sc\n0.875536 0.625535 0.251069 Sc\n0.374466 0.124466 0.248931 Sc\n0.124466 0.374466 0.748931 Sc\n0.625536 0.875535 0.751069 Sc\n0.292589 0.541399 0.583289 Te\n0.958112 0.209299 0.916711 Te\n0.541400 0.292588 0.083289 Te\n0.209299 0.958110 0.416711 Te\n0.707413 0.458601 0.416711 Te\n0.871385 0.621384 0.750000 Te\n0.128617 0.378616 0.250000 Te\n0.621385 0.871384 0.250000 Te\n0.790703 0.041890 0.583289 Te\n0.378617 0.128617 0.750000 Te\n0.041890 0.790702 0.083289 Te\n0.458602 0.707412 0.916711 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"Te"
],
"chemical_system": "Sc-Te",
"density": 5.266319510898027,
"density_atomic": 0.033545297348773456,
"volume": 596.2087559415023,
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"formula_full": "Sc8 Te12",
"formula_reduced": "Sc2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4354147600000002,
"spacegroup": 70
},
{
"id": "jvasp-97322",
"created_at": "2022-09-04T14:35:53.749130Z",
"updated_at": "2022-09-04T14:35:53.749156Z",
"structure_string": "Sc8 Te12\n1.0\n7.034157 0.005376 -1.310501\n-2.665161 6.509709 -1.310501\n-0.002092 -0.003120 13.037985\nSc Te\n8 12\ndirect\n0.207251 0.957250 0.914500 Sc\n0.042750 0.792750 0.585500 Sc\n0.792750 0.042750 0.085500 Sc\n0.957251 0.207251 0.414500 Sc\n0.875812 0.625812 0.251622 Sc\n0.374189 0.124189 0.248378 Sc\n0.124189 0.374189 0.748378 Sc\n0.625812 0.875812 0.751622 Sc\n0.293281 0.541602 0.583024 Te\n0.958578 0.210257 0.916976 Te\n0.541602 0.293281 0.083024 Te\n0.210257 0.958577 0.416976 Te\n0.706720 0.458399 0.416976 Te\n0.870721 0.620720 0.750000 Te\n0.129280 0.379280 0.250000 Te\n0.620720 0.870720 0.250000 Te\n0.789744 0.041423 0.583024 Te\n0.379281 0.129281 0.750000 Te\n0.041423 0.789744 0.083024 Te\n0.458400 0.706720 0.916976 Te\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Sc-Te",
"density": 5.2580823581066305,
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"volume": 597.1427585462137,
"volume_molar": 17.980388728899957,
"formula_full": "Sc8 Te12",
"formula_reduced": "Sc2Te3",
"formula_anonymous": "A2B3",
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"spacegroup": 70
}
]
}