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=1151",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1149",
"results": [
{
"id": "jvasp-93409",
"created_at": "2022-09-04T14:36:19.062653Z",
"updated_at": "2022-09-04T14:36:19.062673Z",
"structure_string": "Nb1 Ir1 S4\n1.0\n3.503042 0.000000 -0.000000\n-3.503042 5.637977 0.048059\n-1.751521 3.033787 5.878261\nNb Ir S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000001 0.500000 0.000000 Ir\n0.657428 0.782051 0.750753 S\n0.323869 0.694504 0.258728 S\n0.342574 0.217950 0.249247 S\n0.676132 0.305497 0.741272 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"S"
],
"chemical_system": "Ir-Nb-S",
"density": 5.938809911388582,
"density_atomic": 0.05190970557978103,
"volume": 115.58532133800074,
"volume_molar": 11.601184581454532,
"formula_full": "Nb1 Ir1 S4",
"formula_reduced": "NbIrS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.15626175,
"spacegroup": 12
},
{
"id": "jvasp-66234",
"created_at": "2022-09-04T14:36:19.065547Z",
"updated_at": "2022-09-04T14:36:19.065566Z",
"structure_string": "Ba4 Os1 Cl1\n1.0\n-0.000000 4.763890 4.763890\n4.763890 -0.000000 4.763890\n4.763890 4.763890 -0.000000\nBa Os Cl\n4 1 1\ndirect\n0.122398 0.625867 0.625867 Ba\n0.625867 0.625867 0.625867 Ba\n0.625867 0.122398 0.625867 Ba\n0.625867 0.625867 0.122398 Ba\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Os",
"Cl"
],
"chemical_system": "Ba-Cl-Os",
"density": 5.951556846659158,
"density_atomic": 0.02774828075482872,
"volume": 216.22961267450373,
"volume_molar": 21.702752733435695,
"formula_full": "Ba4 Os1 Cl1",
"formula_reduced": "Ba4OsCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0627788245833334,
"spacegroup": 216
},
{
"id": "jvasp-87169",
"created_at": "2022-09-04T14:36:19.068273Z",
"updated_at": "2022-09-04T14:36:19.068294Z",
"structure_string": "Ba2 Mg1 W1 O6\n1.0\n5.003721 -0.000000 2.888900\n1.667907 4.717554 2.888900\n-0.000000 0.000000 5.777799\nBa Mg W O\n2 1 1 6\ndirect\n0.250000 0.250001 0.250000 Ba\n0.750000 0.749999 0.750000 Ba\n0.499999 0.499999 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.238988 0.761012 0.761014 O\n0.238988 0.761012 0.238987 O\n0.761013 0.238986 0.761015 O\n0.238988 0.238986 0.761012 O\n0.761013 0.238986 0.238988 O\n0.761014 0.761012 0.238987 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"W",
"O"
],
"chemical_system": "Ba-Mg-O-W",
"density": 7.0469594556621455,
"density_atomic": 0.07332086914767465,
"volume": 136.38681750838393,
"volume_molar": 8.213406128439205,
"formula_full": "Ba2 Mg1 W1 O6",
"formula_reduced": "Ba2MgWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.218653199,
"spacegroup": 225
},
{
"id": "jvasp-65764",
"created_at": "2022-09-04T14:36:19.069853Z",
"updated_at": "2022-09-04T14:36:19.069879Z",
"structure_string": "Ba1 Bi2 Cl1\n1.0\n4.203159 0.000000 0.000000\n0.000000 4.203159 0.000000\n0.000000 -0.000000 7.817650\nBa Bi Cl\n1 2 1\ndirect\n0.500000 0.500000 0.702725 Ba\n0.000000 0.000000 0.040925 Bi\n0.500000 0.500000 0.199094 Bi\n0.000000 0.000000 0.557257 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 7.102613836945365,
"density_atomic": 0.028962238805777484,
"volume": 138.11087004786614,
"volume_molar": 20.79307749785795,
"formula_full": "Ba1 Bi2 Cl1",
"formula_reduced": "BaBi2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2775196209375,
"spacegroup": 99
},
{
"id": "jvasp-50339",
"created_at": "2022-09-04T14:36:19.076547Z",
"updated_at": "2022-09-04T14:36:19.076569Z",
"structure_string": "Rb4 Be4 O6\n1.0\n0.000000 4.991001 0.022842\n8.645192 0.000000 0.000000\n0.000000 -2.788671 -5.851076\nRb Be O\n4 4 6\ndirect\n0.225185 0.346802 0.935312 Rb\n0.225185 0.153198 0.435312 Rb\n0.774816 0.846802 0.564689 Rb\n0.774815 0.653198 0.064689 Rb\n0.302467 0.508346 0.503345 Be\n0.697534 0.008346 0.996656 Be\n0.302467 0.991654 0.003345 Be\n0.697534 0.491654 0.496656 Be\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.393991 0.942371 0.807321 O\n0.606010 0.442371 0.692681 O\n0.393991 0.557628 0.307320 O\n0.606009 0.057629 0.192681 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Be",
"O"
],
"chemical_system": "Be-O-Rb",
"density": 3.1239284291947014,
"density_atomic": 0.05557485544956462,
"volume": 251.9124860829427,
"volume_molar": 10.836088931378729,
"formula_full": "Rb4 Be4 O6",
"formula_reduced": "Rb2Be2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1465746714285716,
"spacegroup": 14
},
{
"id": "jvasp-99366",
"created_at": "2022-09-04T14:36:19.076927Z",
"updated_at": "2022-09-04T14:36:19.076958Z",
"structure_string": "Li4 Nb4 Ge4 O20\n1.0\n6.806214 0.000000 0.000000\n-0.000000 7.556066 0.000000\n0.000000 0.000000 7.847498\nLi Nb Ge O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.772500 0.661215 Nb\n0.250000 0.727501 0.161215 Nb\n0.750000 0.227500 0.338785 Nb\n0.750000 0.272500 0.838786 Nb\n0.250000 0.363811 0.868467 Ge\n0.250000 0.136189 0.368467 Ge\n0.750000 0.863811 0.631534 Ge\n0.750000 0.636189 0.131534 Ge\n0.250000 0.663463 0.386888 O\n0.960071 0.772420 0.124743 O\n0.250000 0.836538 0.886888 O\n0.460071 0.227581 0.875258 O\n0.460071 0.272420 0.375258 O\n0.039928 0.227581 0.875258 O\n0.539928 0.772420 0.124743 O\n0.250000 0.495938 0.057168 O\n0.960071 0.727581 0.624743 O\n0.750000 0.995939 0.442832 O\n0.750000 0.504062 0.942833 O\n0.750000 0.163462 0.113112 O\n0.750000 -0.003754 0.817794 O\n0.750000 0.503755 0.317794 O\n0.250000 0.496246 0.682206 O\n0.250000 0.004062 0.557168 O\n0.539928 0.727581 0.624743 O\n0.039928 0.272420 0.375258 O\n0.750000 0.336538 0.613112 O\n0.250000 0.003754 0.182206 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Ge",
"O"
],
"chemical_system": "Ge-Li-Nb-O",
"density": 4.155382897193732,
"density_atomic": 0.07928981817329096,
"volume": 403.5827138619837,
"volume_molar": 7.595099722436466,
"formula_full": "Li4 Nb4 Ge4 O20",
"formula_reduced": "LiNbGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.48205535625,
"spacegroup": 62
},
{
"id": "jvasp-70508",
"created_at": "2022-09-04T14:36:19.083263Z",
"updated_at": "2022-09-04T14:36:19.083290Z",
"structure_string": "Be1 P1 Br1\n1.0\n1.589843 -2.753689 -0.000000\n1.589843 2.753689 0.000000\n0.000000 -0.000000 6.504640\nBe P Br\n1 1 1\ndirect\n-0.000000 0.000000 0.018502 Be\n0.333332 0.666666 0.754196 P\n0.666666 0.333332 0.227303 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"P",
"Br"
],
"chemical_system": "Be-Br-P",
"density": 3.495501275082002,
"density_atomic": 0.05267431114800887,
"volume": 56.95375857066908,
"volume_molar": 11.432785030787521,
"formula_full": "Be1 P1 Br1",
"formula_reduced": "BePBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.433955235,
"spacegroup": 156
},
{
"id": "jvasp-64777",
"created_at": "2022-09-04T14:36:19.088861Z",
"updated_at": "2022-09-04T14:36:19.088890Z",
"structure_string": "Ba4 La1 Ga1\n1.0\n0.000000 5.143648 5.143648\n5.143648 0.000000 5.143648\n5.143648 5.143648 -0.000000\nBa La Ga\n4 1 1\ndirect\n0.128025 0.623992 0.623992 Ba\n0.623992 0.623992 0.623992 Ba\n0.623992 0.128025 0.623992 Ba\n0.623992 0.623992 0.128025 Ba\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"Ga"
],
"chemical_system": "Ba-Ga-La",
"density": 4.624216778362432,
"density_atomic": 0.02204486955510336,
"volume": 272.1721707176538,
"volume_molar": 27.317652050274354,
"formula_full": "Ba4 La1 Ga1",
"formula_reduced": "Ba4LaGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1615002008333332,
"spacegroup": 216
},
{
"id": "jvasp-92255",
"created_at": "2022-09-04T14:36:19.089048Z",
"updated_at": "2022-09-04T14:36:19.089064Z",
"structure_string": "Li2 Cr1 Fe1 O4\n1.0\n-2.866577 0.000049 -0.000011\n1.433285 -0.812957 -4.762687\n0.000086 -4.926866 0.008777\nLi Cr Fe O\n2 1 1 4\ndirect\n0.502849 0.005699 0.493646 Li\n-0.002850 -0.005699 0.006354 Li\n0.749999 0.500000 0.750001 Cr\n0.249999 0.500000 0.250000 Fe\n0.863301 0.726603 0.375248 O\n0.636698 0.273396 0.124753 O\n0.364525 0.729051 0.879078 O\n0.135472 0.270949 0.620924 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.583428569493097,
"density_atomic": 0.11889704063545552,
"volume": 67.28510614934828,
"volume_molar": 5.065004753536462,
"formula_full": "Li2 Cr1 Fe1 O4",
"formula_reduced": "Li2CrFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5555133625,
"spacegroup": 12
},
{
"id": "jvasp-88303",
"created_at": "2022-09-04T14:36:19.089963Z",
"updated_at": "2022-09-04T14:36:19.089994Z",
"structure_string": "Sr8 Cr4 Cl4 O16\n1.0\n6.530299 0.000000 0.000000\n-0.000000 7.512988 0.000000\n0.000000 0.000000 11.457768\nSr Cr Cl O\n8 4 4 16\ndirect\n0.136093 0.465533 0.250000 Sr\n0.621079 0.250000 0.000000 Sr\n0.378921 0.750000 0.000000 Sr\n0.621079 0.250000 0.500000 Sr\n0.136093 0.034467 0.750000 Sr\n0.863907 0.965533 0.250000 Sr\n0.863907 0.534467 0.750000 Sr\n0.378921 0.750000 0.500000 Sr\n0.876527 0.750000 0.500000 Cr\n0.123473 0.250000 0.000000 Cr\n0.876527 0.750000 0.000000 Cr\n0.123473 0.250000 0.500000 Cr\n0.522978 0.674584 0.250000 Cl\n0.477022 0.174584 0.250000 Cl\n0.522978 0.825417 0.750000 Cl\n0.477022 0.325416 0.750000 Cl\n0.034870 0.729245 0.119172 O\n0.281630 0.425610 0.469464 O\n0.718370 0.574390 0.530536 O\n0.281630 0.425610 0.030536 O\n0.965130 0.270755 0.880828 O\n0.718370 0.925611 0.469464 O\n0.965130 0.229245 0.380828 O\n0.034870 0.770755 0.619172 O\n0.718370 0.574390 0.969464 O\n0.965130 0.229245 0.119172 O\n0.281630 0.074390 0.969464 O\n0.965130 0.270755 0.619172 O\n0.034870 0.729245 0.380828 O\n0.281630 0.074390 0.530536 O\n0.718370 0.925611 0.030536 O\n0.034870 0.770755 0.880828 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Sr",
"density": 3.8600662338297687,
"density_atomic": 0.056925151127558506,
"volume": 562.1416784347932,
"volume_molar": 10.579050983115566,
"formula_full": "Sr8 Cr4 Cl4 O16",
"formula_reduced": "Sr2CrClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6076497609374998,
"spacegroup": 57
},
{
"id": "jvasp-14849",
"created_at": "2022-09-04T14:36:19.091604Z",
"updated_at": "2022-09-04T14:36:19.091629Z",
"structure_string": "V1 Ni3\n1.0\n3.228311 0.000000 -1.421218\n-0.625672 3.167099 -1.421220\n0.003163 0.003845 4.384362\nV Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 Ni\n0.749999 0.249998 0.499999 Ni\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Ni"
],
"chemical_system": "Ni-V",
"density": 8.40293928509857,
"density_atomic": 0.08916096248082878,
"volume": 44.86268304764064,
"volume_molar": 6.754234804603943,
"formula_full": "V1 Ni3",
"formula_reduced": "VNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8001678500000002,
"spacegroup": 139
},
{
"id": "jvasp-43652",
"created_at": "2022-09-04T14:36:19.098221Z",
"updated_at": "2022-09-04T14:36:19.098254Z",
"structure_string": "Li4 Fe2 F8\n1.0\n2.855982 0.000000 0.000000\n0.000000 4.937825 0.000000\n0.000000 -0.000000 10.082989\nLi Fe F\n4 2 8\ndirect\n0.500000 0.028566 0.717022 Li\n0.500000 0.471434 0.217022 Li\n0.500000 0.528565 0.782978 Li\n0.500000 0.971433 0.282978 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.218168 0.173936 F\n0.500000 0.259132 0.405770 F\n0.500000 0.240867 0.905770 F\n0.000000 0.281832 0.673936 F\n0.000000 0.718167 0.326064 F\n0.500000 0.759132 0.094230 F\n0.500000 0.740867 0.594230 F\n0.000000 0.781831 0.826064 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.40345198863139,
"density_atomic": 0.09845722297680462,
"volume": 142.19373222925694,
"volume_molar": 6.116504790530956,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3117923757142856,
"spacegroup": 55
}
]
}