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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=115",
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"results": [
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
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"elements": [
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"Ba",
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"Sb"
],
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"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
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"spacegroup": 36
},
{
"id": "jvasp-57831",
"created_at": "2022-09-04T14:37:11.520246Z",
"updated_at": "2022-09-04T14:37:11.520267Z",
"structure_string": "Nd2 Cr2 S4 O2\n1.0\n3.699127 -0.000020 -0.000035\n-1.849497 5.750920 -0.008209\n-0.000200 -0.023281 7.922552\nNd Cr S O\n2 2 4 2\ndirect\n0.734714 0.469427 0.792160 Nd\n0.265293 0.530570 0.207841 Nd\n0.000004 0.999995 -0.000001 Cr\n0.499992 0.000008 0.500000 Cr\n0.864527 0.729069 0.470842 S\n0.544149 0.088297 0.198721 S\n0.455850 0.911695 0.801278 S\n0.135465 0.270953 0.529161 S\n0.165403 0.330797 0.939435 O\n0.834603 0.669192 0.060566 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cr",
"S",
"O"
],
"chemical_system": "Cr-Nd-O-S",
"density": 5.445866330658555,
"density_atomic": 0.05933362934263988,
"volume": 168.5384850175268,
"volume_molar": 10.149624802526976,
"formula_full": "Nd2 Cr2 S4 O2",
"formula_reduced": "NdCrS2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.28122848,
"spacegroup": 12
},
{
"id": "jvasp-103419",
"created_at": "2022-09-04T14:38:39.862626Z",
"updated_at": "2022-09-04T14:38:39.862641Z",
"structure_string": "Sr2 Cr2 H2 O4\n1.0\n4.770789 -0.037780 -2.411671\n1.788702 4.422941 2.411671\n-0.025261 0.037786 5.345643\nSr Cr H O\n2 2 2 4\ndirect\n0.750000 0.750000 0.499999 Sr\n0.250000 0.250001 0.499999 Sr\n0.500000 0.500000 -0.000001 Cr\n0.000001 -0.000000 0.000001 Cr\n0.249999 0.750000 -0.000001 H\n0.750000 0.250000 0.999999 H\n0.250000 0.749999 0.500000 O\n0.749999 0.250002 0.499999 O\n0.249999 0.250001 0.000000 O\n0.749999 0.750001 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O-Sr",
"density": 5.105279907628494,
"density_atomic": 0.08905169858624533,
"volume": 112.29432070085828,
"volume_molar": 6.762522058091504,
"formula_full": "Sr2 Cr2 H2 O4",
"formula_reduced": "SrCrHO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.077534142,
"spacegroup": 123
},
{
"id": "jvasp-110548",
"created_at": "2022-09-04T14:38:38.809484Z",
"updated_at": "2022-09-04T14:38:38.809512Z",
"structure_string": "Pr1 Zn1 Ag1 As2\n1.0\n4.338941 -0.000000 0.000000\n-2.169471 3.757634 -0.000000\n-0.000000 0.000000 6.972483\nPr Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.986031 Pr\n0.666667 0.333333 0.373881 Zn\n0.333333 0.666666 0.640471 Ag\n0.333333 0.666666 0.248337 As\n0.666667 0.333333 0.751281 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Pr-Zn",
"density": 6.778094912066813,
"density_atomic": 0.04398294635336401,
"volume": 113.68042422236633,
"volume_molar": 13.69199032647207,
"formula_full": "Pr1 Zn1 Ag1 As2",
"formula_reduced": "PrZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.826750202,
"spacegroup": 156
},
{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cd-Cl-S",
"density": 5.774300161084428,
"density_atomic": 0.041301381239047,
"volume": 484.24530608898067,
"volume_molar": 14.580966978185634,
"formula_full": "Cd4 Bi4 S8 Cl4",
"formula_reduced": "CdBiS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4730556235000001,
"spacegroup": 62
},
{
"id": "jvasp-110540",
"created_at": "2022-09-04T14:38:39.679205Z",
"updated_at": "2022-09-04T14:38:39.679226Z",
"structure_string": "Sr1 Nb1 N1 O2\n1.0\n4.080223 0.000000 -0.000000\n0.000000 4.080223 -0.000000\n-0.000000 -0.000000 4.107939\nSr Nb N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"N",
"O"
],
"chemical_system": "N-Nb-O-Sr",
"density": 5.500303341331534,
"density_atomic": 0.07311024160405952,
"volume": 68.38987110832322,
"volume_molar": 8.237068607451592,
"formula_full": "Sr1 Nb1 N1 O2",
"formula_reduced": "SrNbNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.699931192,
"spacegroup": 123
},
{
"id": "jvasp-12018",
"created_at": "2022-09-04T14:37:11.388883Z",
"updated_at": "2022-09-04T14:37:11.388904Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"Se",
"F"
],
"chemical_system": "F-Sb-Se-Sr",
"density": 5.239395134899597,
"density_atomic": 0.040839380578791364,
"volume": 244.86169619313918,
"volume_molar": 14.745916012074405,
"formula_full": "Sr2 Sb2 Se4 F2",
"formula_reduced": "SrSbSe2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4190298851666667,
"spacegroup": 129
},
{
"id": "jvasp-104708",
"created_at": "2022-09-04T14:36:58.121951Z",
"updated_at": "2022-09-04T14:36:58.121983Z",
"structure_string": "Nd1 Mn1 Fe1 Ge2\n1.0\n3.745922 -0.058048 -4.747929\n-0.496329 3.713349 -4.747929\n0.051605 0.058048 6.047487\nNd Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500000 Fe\n0.626976 0.626976 -0.000001 Ge\n0.373023 0.373023 -0.000000 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Mn-Nd",
"density": 7.7258190737206744,
"density_atomic": 0.05811314464487589,
"volume": 86.03905416845953,
"volume_molar": 10.362785901194561,
"formula_full": "Nd1 Mn1 Fe1 Ge2",
"formula_reduced": "NdMnFeGe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.227737228275862,
"spacegroup": 119
},
{
"id": "jvasp-29416",
"created_at": "2022-09-04T14:37:51.099329Z",
"updated_at": "2022-09-04T14:37:51.099360Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.823740 0.000000 0.000000\n0.000000 9.432167 0.000000\n0.000000 0.000000 12.252403\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.997301 0.263189 Mn\n0.750000 0.002700 0.736811 Mn\n0.250000 0.497301 0.236811 Mn\n0.750000 0.502700 0.763189 Mn\n0.750000 0.306456 0.465658 Sb\n0.750000 0.806456 0.034342 Sb\n0.250000 0.193545 0.965658 Sb\n0.250000 0.693545 0.534342 Sb\n0.250000 0.948401 0.883045 S\n0.750000 0.051600 0.116955 S\n0.250000 0.253176 0.323187 S\n0.250000 0.448401 0.616955 S\n0.750000 0.246824 0.823187 S\n0.750000 0.551600 0.383045 S\n0.250000 0.753176 0.176813 S\n0.750000 0.746824 0.676813 S\n0.250000 0.563941 0.887612 Cl\n0.750000 0.436059 0.112388 Cl\n0.750000 0.936059 0.387612 Cl\n0.250000 0.063941 0.612388 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-Mn-S-Sb",
"density": 4.152781394416589,
"density_atomic": 0.04525940987252352,
"volume": 441.89705646475466,
"volume_molar": 13.305831377302102,
"formula_full": "Mn4 Sb4 S8 Cl4",
"formula_reduced": "MnSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.949743481775862,
"spacegroup": 62
},
{
"id": "jvasp-86889",
"created_at": "2022-09-04T14:36:19.717451Z",
"updated_at": "2022-09-04T14:36:19.717472Z",
"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n3.784169 0.000000 -0.000000\n-1.892084 5.584174 -0.000000\n-0.000000 0.000000 7.133654\nHo Si Ru C\n2 2 4 2\ndirect\n0.953216 0.906430 0.250000 Ho\n0.046785 0.093571 0.750000 Ho\n0.231254 0.462506 0.250000 Si\n0.768747 0.537494 0.750000 Si\n0.663508 0.327014 0.444126 Ru\n0.336493 0.672985 0.944125 Ru\n0.336493 0.672985 0.555874 Ru\n0.663508 0.327014 0.055874 Ru\n0.500000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Ho-Ru-Si",
"density": 8.970355325731257,
"density_atomic": 0.0663374071834758,
"volume": 150.74451089627348,
"volume_molar": 9.078046634147126,
"formula_full": "Ho2 Si2 Ru4 C2",
"formula_reduced": "HoSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.046251033333334,
"spacegroup": 63
},
{
"id": "jvasp-35205",
"created_at": "2022-09-04T14:38:07.925552Z",
"updated_at": "2022-09-04T14:38:07.925574Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n-0.232261 0.000000 5.025449\n2.825295 4.578126 0.106201\n-2.825295 4.578126 -0.106201\nSi Ge N O\n2 2 4 2\ndirect\n0.408785 0.012969 0.332920 Si\n0.408785 0.667081 0.987032 Si\n0.913651 0.325654 0.029366 Ge\n0.913651 0.970635 0.674347 Ge\n0.748400 0.659520 0.942882 N\n0.748400 0.057119 0.340481 N\n0.268993 0.334813 0.114992 N\n0.268993 0.885009 0.665188 N\n0.857027 0.267946 0.732055 O\n0.331315 0.799960 0.200041 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.6910703480471905,
"density_atomic": 0.07678736450090938,
"volume": 130.2297593490342,
"volume_molar": 7.8426194194080985,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.31815291,
"spacegroup": 8
},
{
"id": "jvasp-103727",
"created_at": "2022-09-04T14:36:39.959253Z",
"updated_at": "2022-09-04T14:36:39.959271Z",
"structure_string": "Ba1 Bi1 Br1 O2\n1.0\n3.908774 -0.048238 -6.295776\n-0.358782 3.892572 -6.295776\n0.044544 0.048238 7.410353\nBa Bi Br O\n1 1 1 2\ndirect\n0.857764 0.857764 -0.000002 Ba\n0.168485 0.168485 -0.000000 Bi\n0.494895 0.494895 -0.000001 Br\n0.739427 0.239428 0.499998 O\n0.239427 0.739428 0.499999 O\n",
"nsites": 5,
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"elements": [
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"Br",
"O"
],
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"density": 6.61499923511802,
"density_atomic": 0.0434696308975004,
"volume": 115.0228308077838,
"volume_molar": 13.853673554762771,
"formula_full": "Ba1 Bi1 Br1 O2",
"formula_reduced": "BaBiBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7444322750000002,
"spacegroup": 107
}
]
}