HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=203",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=201",
"results": [
{
"id": "jvasp-96693",
"created_at": "2022-09-04T14:35:47.371691Z",
"updated_at": "2022-09-04T14:35:47.371722Z",
"structure_string": "I8 Cl8\n1.0\n4.328950 0.000000 0.000000\n0.000000 10.597691 -5.365035\n0.000000 -0.043134 11.816599\nI Cl\n8 8\ndirect\n0.868921 0.633539 0.703896 I\n0.631079 0.133539 0.703896 I\n0.876081 0.109480 0.186959 I\n0.368921 0.866462 0.296105 I\n0.123919 0.890520 0.813042 I\n0.131079 0.366462 0.296105 I\n0.623919 0.609480 0.186959 I\n0.376081 0.390520 0.813042 I\n0.862292 0.151997 0.525883 Cl\n0.637707 0.651997 0.525884 Cl\n0.137707 0.848004 0.474117 Cl\n0.144506 0.616698 0.909098 Cl\n0.855494 0.383302 0.090902 Cl\n0.644506 0.883302 0.090903 Cl\n0.362292 0.348004 0.474117 Cl\n0.355494 0.116698 0.909098 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"Cl"
],
"chemical_system": "Cl-I",
"density": 3.9859177560482997,
"density_atomic": 0.02956902173087741,
"volume": 541.1068430205123,
"volume_molar": 20.366384842929683,
"formula_full": "I8 Cl8",
"formula_reduced": "ICl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0102380225,
"spacegroup": 14
},
{
"id": "jvasp-14914",
"created_at": "2022-09-04T14:35:47.375840Z",
"updated_at": "2022-09-04T14:35:47.375869Z",
"structure_string": "Si2 Ru1\n1.0\n2.896015 0.000000 0.000000\n0.000000 2.896015 0.000000\n0.000000 -0.000000 5.287047\nSi Ru\n2 1\ndirect\n0.500001 0.500001 0.721151 Si\n0.500001 0.500001 0.278850 Si\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 5.888438038156456,
"density_atomic": 0.0676560236857518,
"volume": 44.34194971218495,
"volume_molar": 8.901115424653975,
"formula_full": "Si2 Ru1",
"formula_reduced": "Si2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0863559,
"spacegroup": 123
},
{
"id": "jvasp-3339",
"created_at": "2022-09-04T14:35:47.377669Z",
"updated_at": "2022-09-04T14:35:47.377699Z",
"structure_string": "K2 Ag2 Se2\n1.0\n4.499550 0.000000 0.000000\n0.000000 4.499550 0.000000\n0.000000 0.000000 7.686138\nK Ag Se\n2 2 2\ndirect\n0.000000 0.500000 0.339703 K\n0.500000 0.000000 0.660297 K\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.221292 Se\n0.000000 0.500000 0.778709 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ag",
"Se"
],
"chemical_system": "Ag-K-Se",
"density": 4.821697111966865,
"density_atomic": 0.03855714852447742,
"volume": 155.61316719754294,
"volume_molar": 15.618739949550307,
"formula_full": "K2 Ag2 Se2",
"formula_reduced": "KAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-18438",
"created_at": "2022-09-04T14:35:47.379824Z",
"updated_at": "2022-09-04T14:35:47.379850Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991150 0.000000 -0.809647\n-0.164246 3.987769 -0.809647\n0.043146 0.044960 10.454688\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 -0.000000 Al\n0.088116 0.588117 0.176233 Pd\n0.588117 0.088117 0.176233 Pd\n0.411883 0.911884 0.823766 Pd\n0.911884 0.411883 0.823767 Pd\n0.000000 0.000000 0.000000 Pd\n0.183067 0.183067 0.366133 I\n0.816933 0.816934 0.633866 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.098121415295894,
"density_atomic": 0.04799468401236652,
"volume": 166.68512700153804,
"volume_molar": 12.547516217521736,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-61149",
"created_at": "2022-09-04T14:35:47.380454Z",
"updated_at": "2022-09-04T14:35:47.380474Z",
"structure_string": "Ce2 Al6\n1.0\n3.222334 -5.581460 -0.000000\n3.222334 5.581460 0.000000\n0.000000 -0.000000 4.617977\nCe Al\n2 6\ndirect\n0.333341 0.666657 0.250000 Ce\n0.666657 0.333341 0.750000 Ce\n0.855027 0.710042 0.250000 Al\n0.289957 0.144972 0.250000 Al\n0.855014 0.144985 0.250000 Al\n0.144972 0.289957 0.750000 Al\n0.710042 0.855027 0.750000 Al\n0.144985 0.855014 0.750000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Al"
],
"chemical_system": "Al-Ce",
"density": 4.4196750226027195,
"density_atomic": 0.04816037449718829,
"volume": 166.11166510897996,
"volume_molar": 12.504347864553225,
"formula_full": "Ce2 Al6",
"formula_reduced": "CeAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7011634750000004,
"spacegroup": 194
},
{
"id": "jvasp-98126",
"created_at": "2022-09-04T14:35:47.380605Z",
"updated_at": "2022-09-04T14:35:47.380645Z",
"structure_string": "La4 Ga24 Pd2\n1.0\n6.207575 -0.000000 0.000000\n-0.000000 6.207575 -0.000000\n-0.000000 -0.000000 15.623234\nLa Ga Pd\n4 24 2\ndirect\n0.250000 0.750001 0.755213 La\n0.250000 0.750001 0.244787 La\n0.750001 0.250000 0.755213 La\n0.750001 0.250000 0.244787 La\n0.250000 0.250000 0.342372 Ga\n0.000272 0.500273 0.087728 Ga\n0.750001 0.750001 0.816704 Ga\n0.427870 0.572131 0.428710 Ga\n0.750001 0.750001 0.183296 Ga\n0.499728 0.999729 0.087728 Ga\n0.500273 0.499728 0.087728 Ga\n0.999729 0.499728 0.912272 Ga\n0.750001 0.750001 0.657628 Ga\n0.999729 0.000272 0.087728 Ga\n0.250000 0.250000 0.183296 Ga\n0.927870 0.072131 0.571290 Ga\n0.750001 0.750001 0.342372 Ga\n0.250000 0.250000 0.816704 Ga\n0.572131 0.427870 0.571290 Ga\n0.927870 0.427870 0.428710 Ga\n0.250000 0.250000 0.657628 Ga\n0.072131 0.927870 0.428710 Ga\n0.500273 0.000272 0.912272 Ga\n0.427870 0.927870 0.571290 Ga\n0.572131 0.072131 0.428710 Ga\n0.000272 0.999729 0.912272 Ga\n0.499728 0.500273 0.912272 Ga\n0.072131 0.572131 0.571290 Ga\n0.250000 0.750001 0.000000 Pd\n0.750001 0.250000 0.000000 Pd\n",
"nsites": 30,
"nelements": 3,
"elements": [
"La",
"Ga",
"Pd"
],
"chemical_system": "Ga-La-Pd",
"density": 6.735142164209246,
"density_atomic": 0.04983177607970978,
"volume": 602.0255018005515,
"volume_molar": 12.084941043175181,
"formula_full": "La4 Ga24 Pd2",
"formula_reduced": "La2Ga12Pd",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 125
},
{
"id": "jvasp-92696",
"created_at": "2022-09-04T14:35:47.381501Z",
"updated_at": "2022-09-04T14:35:47.381525Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n-2.013151 -3.486879 -0.000000\n2.013151 -3.486879 -0.000000\n0.000000 -2.324586 8.340351\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.450960 0.450960 0.647121 Ga\n0.549041 0.549041 0.352879 Ga\n0.257440 0.257440 0.227678 As\n0.742560 0.742560 0.772322 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.6709142385794165,
"density_atomic": 0.04270143328226704,
"volume": 117.09208838374963,
"volume_molar": 14.102900762586025,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712897139999998,
"spacegroup": 166
},
{
"id": "jvasp-67531",
"created_at": "2022-09-04T14:35:47.387648Z",
"updated_at": "2022-09-04T14:35:47.387681Z",
"structure_string": "Be2 Sn1 Te1\n1.0\n3.404070 0.000000 -0.000000\n0.000000 3.404070 0.000000\n0.000000 0.000000 7.274025\nBe Sn Te\n2 1 1\ndirect\n0.000000 0.000000 0.034515 Be\n0.500000 0.500000 0.195647 Be\n0.000000 0.000000 0.398136 Sn\n0.500000 0.500000 0.871704 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Te"
],
"chemical_system": "Be-Sn-Te",
"density": 5.207520277783306,
"density_atomic": 0.04745568402026285,
"volume": 84.28916540939672,
"volume_molar": 12.690030465957753,
"formula_full": "Be2 Sn1 Te1",
"formula_reduced": "Be2SnTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3360954166666663,
"spacegroup": 99
},
{
"id": "jvasp-86086",
"created_at": "2022-09-04T14:35:47.390437Z",
"updated_at": "2022-09-04T14:35:47.390465Z",
"structure_string": "Rb1 In6 Au4\n1.0\n8.270572 -0.000000 -0.000000\n-4.135286 7.162525 -0.000000\n-0.000000 0.000000 4.560261\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.535262 0.464738 0.000000 In\n0.196816 0.803184 0.500000 In\n0.535262 0.070524 0.000000 In\n0.196816 0.393632 0.500000 In\n0.929476 0.464738 0.000000 In\n0.606368 0.803184 0.500000 In\n0.796064 0.203936 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.796064 0.592129 0.500000 Au\n0.407871 0.203936 0.500000 Au\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Rb",
"In",
"Au"
],
"chemical_system": "Au-In-Rb",
"density": 9.602980141663949,
"density_atomic": 0.040719392302058975,
"volume": 270.14155610185236,
"volume_molar": 14.789367963370836,
"formula_full": "Rb1 In6 Au4",
"formula_reduced": "Rb(In3Au2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-69432",
"created_at": "2022-09-04T14:35:47.391600Z",
"updated_at": "2022-09-04T14:35:47.391625Z",
"structure_string": "Be2 Ni1 Se1\n1.0\n3.163396 0.000000 0.000000\n0.000000 3.163396 0.000000\n-0.000000 0.000000 4.775667\nBe Ni Se\n2 1 1\ndirect\n0.000000 0.000000 0.002466 Be\n0.500001 0.500001 0.270061 Be\n0.000000 0.000000 0.445386 Ni\n0.500001 0.500001 0.782087 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Se"
],
"chemical_system": "Be-Ni-Se",
"density": 5.40921849019239,
"density_atomic": 0.08369872311575725,
"volume": 47.790454275723036,
"volume_molar": 7.195021065818699,
"formula_full": "Be2 Ni1 Se1",
"formula_reduced": "Be2NiSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5423869916666666,
"spacegroup": 99
},
{
"id": "jvasp-37042",
"created_at": "2022-09-04T14:35:47.393836Z",
"updated_at": "2022-09-04T14:35:47.393859Z",
"structure_string": "Ti3 Ge1\n1.0\n3.168015 3.168015 0.000000\n3.168015 0.000000 -3.168015\n-0.000000 3.168015 -3.168015\nTi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti",
"density": 5.646709624030485,
"density_atomic": 0.06290255816151377,
"volume": 63.590418528436814,
"volume_molar": 9.573761284138964,
"formula_full": "Ti3 Ge1",
"formula_reduced": "Ti3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0019302375000008,
"spacegroup": 225
},
{
"id": "jvasp-87997",
"created_at": "2022-09-04T14:35:47.397302Z",
"updated_at": "2022-09-04T14:35:47.397328Z",
"structure_string": "Ba2 Ge4 Ru4\n1.0\n6.059363 0.032843 -1.443834\n-3.316032 5.071576 -1.443834\n-0.022040 -0.041008 7.164953\nBa Ge Ru\n2 4 4\ndirect\n0.874999 0.125000 0.250000 Ba\n0.125000 0.875000 0.750000 Ba\n0.197855 0.802146 0.250001 Ge\n0.552145 0.447855 0.250000 Ge\n0.802145 0.197854 0.750000 Ge\n0.447855 0.552145 0.750000 Ge\n0.252022 0.502022 0.004045 Ru\n0.497978 0.747978 0.495956 Ru\n0.502021 0.252021 0.504044 Ru\n0.747978 0.497978 0.995956 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Ru"
],
"chemical_system": "Ba-Ge-Ru",
"density": 7.309421820652808,
"density_atomic": 0.0454034445735595,
"volume": 220.24760662814242,
"volume_molar": 13.263620891677828,
"formula_full": "Ba2 Ge4 Ru4",
"formula_reduced": "Ba(GeRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.111281774000001,
"spacegroup": 70
}
]
}