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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1523",
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"results": [
{
"id": "jvasp-80802",
"created_at": "2022-09-04T14:37:18.982526Z",
"updated_at": "2022-09-04T14:37:18.982558Z",
"structure_string": "Li1 Y2 Ga1\n1.0\n-15.809643 1.512526 -6.631633\n-9.451273 0.122979 -1.422172\n-8.351813 3.242292 -3.331474\nLi Y Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.503737 0.164175 0.164144 Y\n0.496259 0.835827 0.835858 Y\n0.499999 1.000000 0.000002 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.211962918465532,
"density_atomic": 0.03987026435870371,
"volume": 100.3253944847947,
"volume_molar": 15.104341184749035,
"formula_full": "Li1 Y2 Ga1",
"formula_reduced": "LiY2Ga",
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"spacegroup": 71
},
{
"id": "jvasp-106258",
"created_at": "2022-09-04T14:38:39.797972Z",
"updated_at": "2022-09-04T14:38:39.797997Z",
"structure_string": "Li1 Y2 Ga1\n1.0\n4.391379 -0.000000 2.535364\n1.463793 4.140232 2.535364\n-0.000000 -0.000000 5.070727\nLi Y Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.749999 Y\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Li-Y",
"density": 4.583524818499438,
"density_atomic": 0.043387453723079956,
"volume": 92.19255007518913,
"volume_molar": 13.879912839403438,
"formula_full": "Li1 Y2 Ga1",
"formula_reduced": "LiY2Ga",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-16646",
"created_at": "2022-09-04T14:38:30.109592Z",
"updated_at": "2022-09-04T14:38:30.109616Z",
"structure_string": "Li1 Y1 Ga4\n1.0\n2.162444 -3.745462 -0.000000\n2.162444 3.745462 0.000000\n0.000000 -0.000000 6.909246\nLi Y Ga\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.333332 0.666666 0.310261 Ga\n0.666666 0.333332 0.778038 Ga\n0.333332 0.666666 0.689740 Ga\n0.666666 0.333332 0.221963 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 5.55989898200624,
"density_atomic": 0.05360932440166231,
"volume": 111.92082845599063,
"volume_molar": 11.233383048963152,
"formula_full": "Li1 Y1 Ga4",
"formula_reduced": "LiYGa4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2543024583333335,
"spacegroup": 187
},
{
"id": "jvasp-102516",
"created_at": "2022-09-04T14:36:41.698618Z",
"updated_at": "2022-09-04T14:36:41.698633Z",
"structure_string": "Li1 Tm2 Ga1\n1.0\n4.319170 -0.000000 2.493674\n1.439723 4.072152 2.493674\n-0.000000 -0.000000 4.987347\nLi Tm Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Ga"
],
"chemical_system": "Ga-Li-Tm",
"density": 7.847182176411621,
"density_atomic": 0.04560013487200339,
"volume": 87.71903879731364,
"volume_molar": 13.206409974233095,
"formula_full": "Li1 Tm2 Ga1",
"formula_reduced": "LiTm2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6554227062500001,
"spacegroup": 225
},
{
"id": "jvasp-86485",
"created_at": "2022-09-04T14:36:04.370536Z",
"updated_at": "2022-09-04T14:36:04.370556Z",
"structure_string": "Li2 Ga2 Te4\n1.0\n5.736085 -0.000000 -2.691347\n-1.262768 5.595363 -2.691347\n0.009207 0.011516 7.477974\nLi Ga Te\n2 2 4\ndirect\n0.750000 0.250000 0.499999 Li\n0.499999 0.500000 -0.000001 Li\n0.250000 0.750000 0.499999 Ga\n0.000000 0.000000 0.000000 Ga\n0.885130 0.875000 0.249999 Te\n0.625000 0.114870 0.749999 Te\n0.125000 0.635131 0.749999 Te\n0.364869 0.375000 0.249999 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Te"
],
"chemical_system": "Ga-Li-Te",
"density": 4.58530806851246,
"density_atomic": 0.03328275513594527,
"volume": 240.36471642216978,
"volume_molar": 18.093876950397377,
"formula_full": "Li2 Ga2 Te4",
"formula_reduced": "LiGaTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3591594645833335,
"spacegroup": 122
},
{
"id": "jvasp-100504",
"created_at": "2022-09-04T14:36:37.028802Z",
"updated_at": "2022-09-04T14:36:37.028813Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n4.839149 -0.000000 2.793884\n1.613050 4.562394 2.793884\n0.000000 0.000000 5.587768\nSr Li Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Ga"
],
"chemical_system": "Ga-Li-Sr",
"density": 3.390658205761948,
"density_atomic": 0.03242349623857323,
"volume": 123.36732505858897,
"volume_molar": 18.573384917187454,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100995",
"created_at": "2022-09-04T14:36:34.776981Z",
"updated_at": "2022-09-04T14:36:34.777013Z",
"structure_string": "Li1 Sm2 Ga1\n1.0\n4.470446 0.000000 2.581013\n1.490149 4.214777 2.581013\n-0.000000 -0.000000 5.162026\nLi Sm Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750001 0.749999 Sm\n0.500001 0.500000 0.499999 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sm",
"Ga"
],
"chemical_system": "Ga-Li-Sm",
"density": 6.442982303150389,
"density_atomic": 0.041125799034584694,
"volume": 97.26254793581529,
"volume_molar": 14.643218858643179,
"formula_full": "Li1 Sm2 Ga1",
"formula_reduced": "LiSm2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7458725187499998,
"spacegroup": 225
},
{
"id": "jvasp-101707",
"created_at": "2022-09-04T14:36:57.146609Z",
"updated_at": "2022-09-04T14:36:57.146635Z",
"structure_string": "Li2 Ga1 Si1\n1.0\n3.872598 0.000000 2.235845\n1.290866 3.651120 2.235845\n0.000000 0.000000 4.471691\nLi Ga Si\n2 1 1\ndirect\n0.750001 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ga\n0.500001 0.500000 0.500001 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Si"
],
"chemical_system": "Ga-Li-Si",
"density": 2.9333576878087406,
"density_atomic": 0.06326444201258674,
"volume": 63.2266700337637,
"volume_molar": 9.518997668234976,
"formula_full": "Li2 Ga1 Si1",
"formula_reduced": "Li2GaSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9851927312499996,
"spacegroup": 216
},
{
"id": "jvasp-7706",
"created_at": "2022-09-04T14:37:08.177952Z",
"updated_at": "2022-09-04T14:37:08.177979Z",
"structure_string": "Li1 Ga1 Si1\n1.0\n3.600761 0.000000 2.078900\n1.200253 3.394831 2.078900\n0.000000 0.000000 4.157801\nLi Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ga\n0.499999 0.500000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Si"
],
"chemical_system": "Ga-Li-Si",
"density": 3.422353774996236,
"density_atomic": 0.059026237368198536,
"volume": 50.82485575501556,
"volume_molar": 10.202481182113328,
"formula_full": "Li1 Ga1 Si1",
"formula_reduced": "LiGaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.939566975,
"spacegroup": 216
},
{
"id": "jvasp-10785",
"created_at": "2022-09-04T14:38:06.143588Z",
"updated_at": "2022-09-04T14:38:06.143609Z",
"structure_string": "Li4 Ga4 Se8\n1.0\n6.615319 0.000000 0.000000\n0.000000 6.909057 0.000000\n0.000000 0.000000 8.238141\nLi Ga Se\n4 4 8\ndirect\n0.120287 0.911983 0.622022 Li\n0.620287 0.088017 0.377978 Li\n0.620287 0.588017 0.122022 Li\n0.120287 0.411983 0.877978 Li\n0.622584 0.574566 0.625934 Ga\n0.122584 0.425434 0.374065 Ga\n0.122584 0.925435 0.125934 Ga\n0.622584 0.074566 0.874065 Ga\n0.502953 0.908937 0.631127 Se\n0.002953 0.091063 0.368873 Se\n0.002953 0.591064 0.131127 Se\n0.502953 0.408937 0.868872 Se\n0.992176 0.069713 0.878454 Se\n0.492176 0.930287 0.121546 Se\n0.492176 0.430287 0.378454 Se\n0.992176 0.569713 0.621546 Se\n",
"nsites": 16,
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"elements": [
"Li",
"Ga",
"Se"
],
"chemical_system": "Ga-Li-Se",
"density": 4.138173434136888,
"density_atomic": 0.04249337195763901,
"volume": 376.52930946384186,
"volume_molar": 14.17195313660535,
"formula_full": "Li4 Ga4 Se8",
"formula_reduced": "LiGaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5237197645833334,
"spacegroup": 33
},
{
"id": "jvasp-100606",
"created_at": "2022-09-04T14:36:46.416159Z",
"updated_at": "2022-09-04T14:36:46.416183Z",
"structure_string": "Li1 Sc2 Ga1\n1.0\n4.105661 0.000000 2.370404\n1.368553 3.870855 2.370404\n0.000000 0.000000 4.740809\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.499999 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Li-Sc",
"density": 3.671289385338156,
"density_atomic": 0.053090588840408584,
"volume": 75.34292023062851,
"volume_molar": 11.343141772457413,
"formula_full": "Li1 Sc2 Ga1",
"formula_reduced": "LiSc2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.27583820625,
"spacegroup": 225
},
{
"id": "jvasp-76722",
"created_at": "2022-09-04T14:37:08.915490Z",
"updated_at": "2022-09-04T14:37:08.915524Z",
"structure_string": "Li1 Sc2 Ga1\n1.0\n-13.272056 0.000001 -7.662625\n-7.822166 -0.407314 -1.776861\n-6.839397 2.372375 -3.479066\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.680979 0.000002 -0.000000 Sc\n0.319020 0.000001 -0.000000 Sc\n0.499999 0.000001 -0.000000 Ga\n",
"nsites": 4,
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],
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"volume": 88.78834169811927,
"volume_molar": 13.367397288826291,
"formula_full": "Li1 Sc2 Ga1",
"formula_reduced": "LiSc2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.38618320625,
"spacegroup": 139
}
]
}