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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3569",
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"results": [
{
"id": "jvasp-15712",
"created_at": "2022-09-04T14:36:59.104554Z",
"updated_at": "2022-09-04T14:36:59.104584Z",
"structure_string": "Ba1 Sb2 Pd2\n1.0\n4.433321 0.000000 -1.780833\n-0.715348 4.375227 -1.780833\n0.047436 0.055822 6.526806\nBa Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.635855 0.635856 0.271712 Sb\n0.364145 0.364144 0.728290 Sb\n0.750000 0.250000 0.500001 Pd\n0.250000 0.750000 0.500001 Pd\n",
"nsites": 5,
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"elements": [
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"Sb",
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],
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"volume": 127.48048487501573,
"volume_molar": 15.354108481407915,
"formula_full": "Ba1 Sb2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-15380",
"created_at": "2022-09-04T14:36:57.867148Z",
"updated_at": "2022-09-04T14:36:57.867168Z",
"structure_string": "Ce1 Si2 Ir2\n1.0\n3.854110 0.000000 -1.438053\n-0.536569 3.816577 -1.438053\n-0.018237 -0.020981 5.834828\nCe Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.621449 0.621450 0.242900 Si\n0.378550 0.378551 0.757102 Si\n0.750000 0.250000 0.500001 Ir\n0.250000 0.750001 0.500001 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ce-Ir-Si",
"density": 11.265976590050045,
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"volume": 85.59487937749522,
"volume_molar": 10.309288238929947,
"formula_full": "Ce1 Si2 Ir2",
"formula_reduced": "Ce(SiIr)2",
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"spacegroup": 139
},
{
"id": "jvasp-15387",
"created_at": "2022-09-04T14:36:59.092107Z",
"updated_at": "2022-09-04T14:36:59.092128Z",
"structure_string": "Th1 Mn2 Si2\n1.0\n3.768033 -0.000000 -1.350943\n-0.484350 3.736774 -1.350943\n-0.000251 -0.000286 5.929646\nTh Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.749999 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.374485 0.374484 0.748971 Si\n0.625514 0.625514 0.251030 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Th",
"density": 7.9177159139382685,
"density_atomic": 0.059888694350826756,
"volume": 83.48821182692849,
"volume_molar": 10.055555268449202,
"formula_full": "Th1 Mn2 Si2",
"formula_reduced": "Th(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.750737456551724,
"spacegroup": 139
},
{
"id": "jvasp-10138",
"created_at": "2022-09-04T14:37:11.736419Z",
"updated_at": "2022-09-04T14:37:11.736430Z",
"structure_string": "K4 P4 Pd2\n1.0\n5.902471 -0.000000 -0.000000\n0.000000 5.723043 -2.616919\n-0.000000 0.069534 7.718498\nK P Pd\n4 4 2\ndirect\n0.750000 0.790260 0.580520 K\n0.750000 0.420550 0.841100 K\n0.250000 0.209739 0.419480 K\n0.250000 0.579449 0.158899 K\n0.750000 0.287776 0.226743 P\n0.250000 0.061034 0.773257 P\n0.250000 0.712223 0.773257 P\n0.750000 0.938964 0.226742 P\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"P",
"Pd"
],
"chemical_system": "K-P-Pd",
"density": 3.127735212107419,
"density_atomic": 0.03819627407316674,
"volume": 261.80564054086886,
"volume_molar": 15.76630419099075,
"formula_full": "K4 P4 Pd2",
"formula_reduced": "K2P2Pd",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.11043254,
"spacegroup": 63
},
{
"id": "jvasp-15474",
"created_at": "2022-09-04T14:36:58.479897Z",
"updated_at": "2022-09-04T14:36:58.479923Z",
"structure_string": "Pr1 Si2 Ru2\n1.0\n3.942924 -0.000000 -1.554852\n-0.613140 3.894960 -1.554852\n0.001736 0.002030 5.781225\nPr Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.636568 0.636568 0.273135 Si\n0.363432 0.363432 0.726865 Si\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Pr-Ru-Si",
"density": 7.464434085067008,
"density_atomic": 0.0562998156142627,
"volume": 88.8102375726667,
"volume_molar": 10.696555031832792,
"formula_full": "Pr1 Si2 Ru2",
"formula_reduced": "Pr(SiRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4487796100000008,
"spacegroup": 139
},
{
"id": "jvasp-7978",
"created_at": "2022-09-04T14:37:04.851521Z",
"updated_at": "2022-09-04T14:37:04.851552Z",
"structure_string": "Yb1 Fe2 Ge2\n1.0\n3.692654 0.000000 -1.294846\n-0.454043 3.664634 -1.294846\n0.003811 0.004313 5.923667\nYb Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.749999 0.499999 Fe\n0.749999 0.249999 0.499999 Fe\n0.625010 0.625009 0.250019 Ge\n0.374990 0.374989 0.749980 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"Ge"
],
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"density": 8.903164770014833,
"density_atomic": 0.06234286583222592,
"volume": 80.2016386839796,
"volume_molar": 9.659711146751727,
"formula_full": "Yb1 Fe2 Ge2",
"formula_reduced": "Yb(FeGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5476107199999998,
"spacegroup": 139
},
{
"id": "jvasp-16038",
"created_at": "2022-09-04T14:36:59.721547Z",
"updated_at": "2022-09-04T14:36:59.721559Z",
"structure_string": "Li1 Ni2 P2\n1.0\n3.544967 0.000000 -1.342102\n-0.508111 3.508363 -1.342102\n-0.011222 -0.012965 5.323166\nLi Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250001 0.750000 0.500001 Ni\n0.750001 0.250000 0.500001 Ni\n0.381753 0.381753 0.763505 P\n0.618249 0.618248 0.236497 P\n",
"nsites": 5,
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"elements": [
"Li",
"Ni",
"P"
],
"chemical_system": "Li-Ni-P",
"density": 4.680882202892266,
"density_atomic": 0.07566469597588137,
"volume": 66.08101619272723,
"volume_molar": 7.958983621528854,
"formula_full": "Li1 Ni2 P2",
"formula_reduced": "Li(NiP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.73868516,
"spacegroup": 139
},
{
"id": "jvasp-4053",
"created_at": "2022-09-04T14:36:59.951181Z",
"updated_at": "2022-09-04T14:36:59.951217Z",
"structure_string": "Ba1 Mg2 Bi2\n1.0\n2.452894 -4.248537 0.000000\n2.452894 4.248537 0.000000\n0.000000 0.000000 8.292682\nBa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.376450 Mg\n0.333332 0.666666 0.623550 Mg\n0.333332 0.666666 0.263201 Bi\n0.666666 0.333332 0.736798 Bi\n",
"nsites": 5,
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"elements": [
"Ba",
"Mg",
"Bi"
],
"chemical_system": "Ba-Bi-Mg",
"density": 5.801888145237809,
"density_atomic": 0.028928559680521982,
"volume": 172.83957636392705,
"volume_molar": 20.817285155246754,
"formula_full": "Ba1 Mg2 Bi2",
"formula_reduced": "Ba(MgBi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1831609608695653,
"spacegroup": 164
},
{
"id": "jvasp-15388",
"created_at": "2022-09-04T14:37:03.796006Z",
"updated_at": "2022-09-04T14:37:03.796024Z",
"structure_string": "Tb1 Si2 Ni2\n1.0\n3.729464 -0.000000 -1.429177\n-0.547679 3.689031 -1.429177\n-0.015404 -0.017859 5.540443\nTb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627480 0.627480 0.254961 Si\n0.372520 0.372519 0.745037 Si\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Tb",
"density": 7.261085925291861,
"density_atomic": 0.06575864299841006,
"volume": 76.03563230647707,
"volume_molar": 9.157945610504166,
"formula_full": "Tb1 Si2 Ni2",
"formula_reduced": "Tb(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.91645608,
"spacegroup": 139
},
{
"id": "jvasp-16041",
"created_at": "2022-09-04T14:37:02.089872Z",
"updated_at": "2022-09-04T14:37:02.089901Z",
"structure_string": "Mn2 Zn1 As2\n1.0\n1.943805 -3.366769 -0.000000\n1.943805 3.366769 0.000000\n-0.000000 -0.000000 6.591863\nMn Zn As\n2 1 2\ndirect\n0.666666 0.333332 0.613750 Mn\n0.333332 0.666666 0.386250 Mn\n0.000000 0.000000 0.000000 Zn\n0.333332 0.666666 0.754648 As\n0.666666 0.333332 0.245351 As\n",
"nsites": 5,
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"elements": [
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"Zn",
"As"
],
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"density": 6.257482941081159,
"density_atomic": 0.05795165208095568,
"volume": 86.27881726331529,
"volume_molar": 10.391663643320053,
"formula_full": "Mn2 Zn1 As2",
"formula_reduced": "Mn2ZnAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.482027676551724,
"spacegroup": 164
},
{
"id": "jvasp-15339",
"created_at": "2022-09-04T14:37:02.242233Z",
"updated_at": "2022-09-04T14:37:02.242251Z",
"structure_string": "Nd1 Co2 Si2\n1.0\n3.715097 0.000000 -1.378552\n-0.511536 3.679712 -1.378552\n0.009656 0.011091 5.721258\nNd Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.749999 0.500000 Co\n0.750001 0.250000 0.500001 Co\n0.633982 0.633981 0.267963 Si\n0.366019 0.366018 0.732038 Si\n",
"nsites": 5,
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],
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"density": 6.747637328328664,
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"volume": 78.32598811583229,
"volume_molar": 9.433802511992583,
"formula_full": "Nd1 Co2 Si2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9366641,
"spacegroup": 139
},
{
"id": "jvasp-85214",
"created_at": "2022-09-04T14:37:06.597152Z",
"updated_at": "2022-09-04T14:37:06.597179Z",
"structure_string": "Y1 Si2 Au2\n1.0\n4.020795 -0.000000 -1.542833\n-0.592006 3.976975 -1.542833\n-0.037688 -0.043714 5.912517\nY Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.386347 0.386348 0.772696 Si\n0.613653 0.613652 0.227305 Si\n0.750000 0.250000 0.500001 Au\n0.249999 0.750000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Au-Si-Y",
"density": 9.521539861730652,
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"volume": 94.00235207321937,
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"formula_full": "Y1 Si2 Au2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
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}