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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4602",
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{
"id": "jvasp-110701",
"created_at": "2022-09-04T14:38:37.417871Z",
"updated_at": "2022-09-04T14:38:37.417885Z",
"structure_string": "Rb2 Sb1 Au1 Br6\n1.0\n6.832795 -0.000000 3.944916\n2.277598 6.442021 3.944916\n-0.000000 -0.000000 7.889832\nRb Sb Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Au\n0.748290 0.251710 0.251711 Br\n0.251711 0.251710 0.748290 Br\n0.251711 0.748290 0.748290 Br\n0.251711 0.748290 0.251711 Br\n0.748290 0.251710 0.748290 Br\n0.748290 0.748290 0.251711 Br\n",
"nsites": 10,
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"volume": 347.28680519541194,
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"formula_full": "Rb2 Sb1 Au1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-110469",
"created_at": "2022-09-04T14:38:38.449843Z",
"updated_at": "2022-09-04T14:38:38.449873Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n4.963875 0.000000 2.865894\n1.654625 4.679986 2.865894\n-0.000000 0.000000 5.731788\nSr Tl In\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Sr\n0.749998 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Sr-Tl",
"density": 6.166068253241614,
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"volume": 133.15439613547179,
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"formula_full": "Sr2 Tl1 In1",
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},
{
"id": "jvasp-110703",
"created_at": "2022-09-04T14:38:43.116519Z",
"updated_at": "2022-09-04T14:38:43.116540Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n6.507590 -0.000000 3.757159\n2.169197 6.135415 3.757159\n-0.000000 -0.000000 7.514318\nTb Rb Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.752893 0.247107 0.247108 Cl\n0.247108 0.247107 0.752893 Cl\n0.247108 0.752892 0.752893 Cl\n0.247108 0.752892 0.247108 Cl\n0.752893 0.247107 0.752893 Cl\n0.752893 0.752892 0.247108 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Rb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Tb",
"density": 3.600040740642022,
"density_atomic": 0.03333084338884879,
"volume": 300.0224111744383,
"volume_molar": 18.06777191247064,
"formula_full": "Rb2 Tb1 Ag1 Cl6",
"formula_reduced": "Rb2TbAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110672",
"created_at": "2022-09-04T14:38:38.108582Z",
"updated_at": "2022-09-04T14:38:38.108603Z",
"structure_string": "K2 Al1 Ag1 Cl6\n1.0\n6.131031 -0.000000 3.539752\n2.043677 5.780391 3.539752\n-0.000000 -0.000000 7.079504\nK Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ag\n0.766796 0.233204 0.233203 Cl\n0.233204 0.233204 0.766795 Cl\n0.233204 0.766796 0.766795 Cl\n0.233204 0.766796 0.233203 Cl\n0.766796 0.233204 0.766795 Cl\n0.766797 0.766796 0.233203 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"Ag",
"Cl"
],
"chemical_system": "Ag-Al-Cl-K",
"density": 2.8178950913864216,
"density_atomic": 0.0398571682844705,
"volume": 250.8958972857158,
"volume_molar": 15.109304095610824,
"formula_full": "K2 Al1 Ag1 Cl6",
"formula_reduced": "K2AlAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114936",
"created_at": "2022-09-04T14:38:42.529870Z",
"updated_at": "2022-09-04T14:38:42.529901Z",
"structure_string": "Sr2 P1 F1\n1.0\n2.150804 1.241767 6.135699\n-2.150804 1.241767 6.135699\n0.000000 -2.483534 6.135699\nSr P F\n2 1 1\ndirect\n0.747239 0.747239 0.747233 Sr\n0.252763 0.252763 0.252761 Sr\n0.500001 0.500001 0.499997 P\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"P",
"F"
],
"chemical_system": "F-P-Sr",
"density": 3.803511179011208,
"density_atomic": 0.04068213578038923,
"volume": 98.32325474731331,
"volume_molar": 14.802912001741477,
"formula_full": "Sr2 P1 F1",
"formula_reduced": "Sr2PF",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-112650",
"created_at": "2022-09-04T14:38:42.474001Z",
"updated_at": "2022-09-04T14:38:42.474032Z",
"structure_string": "Rb4 Tl1 Sb1 Cl12\n1.0\n7.207016 -0.000000 0.000000\n0.000000 7.207016 0.000000\n-0.000000 -0.000000 10.003746\nRb Tl Sb Cl\n4 1 1 12\ndirect\n0.500000 0.000000 0.773685 Rb\n-0.000000 0.500000 0.226315 Rb\n0.500000 0.000000 0.226315 Rb\n-0.000000 0.500000 0.773685 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.743846 0.743846 -0.000000 Cl\n0.261637 0.261637 0.500000 Cl\n0.500000 0.500000 0.742019 Cl\n0.000000 0.000000 0.264869 Cl\n0.256155 0.743846 -0.000000 Cl\n0.738363 0.738363 0.500000 Cl\n0.256155 0.256155 -0.000000 Cl\n0.261637 0.738363 0.500000 Cl\n0.500000 0.500000 0.257981 Cl\n0.000000 0.000000 0.735131 Cl\n0.738363 0.261637 0.500000 Cl\n0.743846 0.256155 -0.000000 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Sb",
"Cl"
],
"chemical_system": "Cl-Rb-Sb-Tl",
"density": 3.494415928160209,
"density_atomic": 0.03464167448014377,
"volume": 519.6053675268325,
"volume_molar": 17.384092571656215,
"formula_full": "Rb4 Tl1 Sb1 Cl12",
"formula_reduced": "Rb4TlSbCl12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-111073",
"created_at": "2022-09-04T14:38:38.080986Z",
"updated_at": "2022-09-04T14:38:38.081019Z",
"structure_string": "Cu1 Cl1\n1.0\n3.309618 0.020558 1.876201\n1.102660 3.120598 1.876201\n0.028877 0.020558 3.804321\nCu Cl\n1 1\ndirect\n0.991391 0.991392 0.991388 Cu\n0.241610 0.241611 0.241609 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 4.220403204507479,
"density_atomic": 0.051345694744961624,
"volume": 38.95165913976172,
"volume_molar": 11.72861870875928,
"formula_full": "Cu1 Cl1",
"formula_reduced": "CuCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-113526",
"created_at": "2022-09-04T14:38:48.119239Z",
"updated_at": "2022-09-04T14:38:48.119267Z",
"structure_string": "Be1 Zn2\n1.0\n4.135286 0.000000 0.727902\n0.000000 2.982837 0.000000\n1.437313 0.000000 3.945313\nBe Zn\n1 2\ndirect\n0.466676 0.000000 -0.200010 Be\n-0.199988 0.000000 0.133325 Zn\n0.133313 0.000000 0.466685 Zn\n",
"nsites": 3,
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"elements": [
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"Zn"
],
"chemical_system": "Be-Zn",
"density": 5.098193495998846,
"density_atomic": 0.06586998263057009,
"volume": 45.544265842992765,
"volume_molar": 9.14246599057875,
"formula_full": "Be1 Zn2",
"formula_reduced": "BeZn2",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-115556",
"created_at": "2022-09-04T14:38:42.462119Z",
"updated_at": "2022-09-04T14:38:42.462135Z",
"structure_string": "Ba1 Te1 Cl1\n1.0\n0.000000 3.942556 3.942556\n3.942556 0.000000 3.942556\n3.942556 3.942556 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ba-Cl-Te",
"density": 4.069644771710152,
"density_atomic": 0.02447696950553236,
"volume": 122.56419240633244,
"volume_molar": 24.603293960221905,
"formula_full": "Ba1 Te1 Cl1",
"formula_reduced": "BaTeCl",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-117813",
"created_at": "2022-09-04T14:38:48.214825Z",
"updated_at": "2022-09-04T14:38:48.214853Z",
"structure_string": "Rb2 In1 Br1\n1.0\n-2.398984 9.881084 2.321139\n2.398984 -9.881084 2.321139\n2.398984 9.881084 -2.321139\nRb In Br\n2 1 1\ndirect\n0.162440 -0.000000 0.162440 Rb\n0.837559 -0.000000 0.837559 Rb\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"density": 2.758866077000042,
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"formula_full": "Rb2 In1 Br1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-111060",
"created_at": "2022-09-04T14:38:38.056425Z",
"updated_at": "2022-09-04T14:38:38.056458Z",
"structure_string": "Ga1 Ag3\n1.0\n2.951807 -0.000000 0.000000\n-1.475903 2.556340 0.000000\n0.000000 -0.000000 9.271961\nGa Ag\n1 3\ndirect\n0.666668 0.333333 -0.000000 Ga\n0.666668 0.333333 0.500000 Ag\n0.333334 0.666667 0.243899 Ag\n0.333334 0.666667 0.756100 Ag\n",
"nsites": 4,
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"elements": [
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"volume": 69.96457013768541,
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"formula_full": "Ga1 Ag3",
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},
{
"id": "jvasp-115560",
"created_at": "2022-09-04T14:38:42.461665Z",
"updated_at": "2022-09-04T14:38:42.461692Z",
"structure_string": "Ba1 Tl1 Cl2\n1.0\n3.782057 0.000000 0.000000\n0.000000 3.782057 0.000000\n0.000000 0.000000 9.310380\nBa Tl Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.184580 Cl\n0.000000 0.000000 0.815419 Cl\n",
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}
]
}