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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=893",
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"results": [
{
"id": "jvasp-23044",
"created_at": "2022-09-04T14:38:33.011026Z",
"updated_at": "2022-09-04T14:38:33.011058Z",
"structure_string": "Sr2 Ni8 Sn4\n1.0\n6.442073 0.024926 -2.230795\n-3.258519 5.557245 -2.230795\n-0.014216 -0.024926 6.817370\nSr Ni Sn\n2 8 4\ndirect\n0.750000 0.750000 -0.000001 Sr\n0.250000 0.250000 -0.000000 Sr\n0.526118 0.297777 0.499999 Ni\n0.026119 0.526119 0.228341 Ni\n0.297776 0.797776 0.771656 Ni\n0.797776 0.026119 0.499999 Ni\n0.202222 0.973880 0.499998 Ni\n0.973880 0.473881 0.771656 Ni\n0.473880 0.702222 0.499999 Ni\n0.702223 0.202223 0.228341 Ni\n0.839522 0.660477 0.499999 Sn\n0.660476 0.160477 0.820954 Sn\n0.339522 0.839522 0.179043 Sn\n0.160476 0.339522 0.499999 Sn\n",
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"density": 7.62267311176581,
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"volume": 243.90193287421275,
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"formula_full": "Sr2 Ni8 Sn4",
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{
"id": "jvasp-40994",
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"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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],
"chemical_system": "H-Ni-O-P-Sr",
"density": 3.913203121224911,
"density_atomic": 0.10389142262685175,
"volume": 182.88324020975784,
"volume_molar": 5.796571658884493,
"formula_full": "Sr1 Ni2 P2 H4 O10",
"formula_reduced": "SrNi2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.6844530057894733,
"spacegroup": 12
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{
"id": "jvasp-16761",
"created_at": "2022-09-04T14:38:32.450713Z",
"updated_at": "2022-09-04T14:38:32.450727Z",
"structure_string": "Sr2 Ni4 Ge2\n1.0\n2.068001 -3.581882 -0.000000\n2.068001 3.581882 0.000000\n-0.000000 0.000000 10.421043\nSr Ni Ge\n2 4 2\ndirect\n0.666667 0.333333 0.250000 Sr\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.963851 Ni\n0.333333 0.666667 0.463851 Ni\n0.333333 0.666667 0.036149 Ni\n0.666667 0.333333 0.536149 Ni\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-Ni-Sr",
"density": 5.97267059240709,
"density_atomic": 0.05181873233621702,
"volume": 154.38432472823462,
"volume_molar": 11.621551683137222,
"formula_full": "Sr2 Ni4 Ge2",
"formula_reduced": "SrNi2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4632967649999999,
"spacegroup": 194
},
{
"id": "jvasp-116048",
"created_at": "2022-09-04T14:38:40.686948Z",
"updated_at": "2022-09-04T14:38:40.686981Z",
"structure_string": "Sr1 N1 F2\n1.0\n3.673363 0.000000 0.000000\n0.000000 3.673363 0.000000\n0.000000 0.000000 4.776491\nSr N F\n1 1 2\ndirect\n0.499999 0.499999 0.502670 Sr\n0.000000 0.000000 0.002274 N\n0.000000 0.000000 0.502322 F\n0.499999 0.499999 0.002734 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"F"
],
"chemical_system": "F-N-Sr",
"density": 3.5972529677843172,
"density_atomic": 0.06206165218842042,
"volume": 64.45203856088007,
"volume_molar": 9.70348121206419,
"formula_full": "Sr1 N1 F2",
"formula_reduced": "SrNF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7005175312499998,
"spacegroup": 123
},
{
"id": "jvasp-116046",
"created_at": "2022-09-04T14:38:40.988811Z",
"updated_at": "2022-09-04T14:38:40.988830Z",
"structure_string": "Sr1 N1 F1\n1.0\n4.117042 -1.482714 0.000000\n-0.769898 4.307587 0.000000\n0.000000 0.000000 4.746315\nSr N F\n1 1 1\ndirect\n0.055685 0.420084 0.000000 Sr\n0.389067 0.086665 0.000000 N\n-0.277605 -0.246701 0.000000 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-N-Sr",
"density": 2.543348650724054,
"density_atomic": 0.03809257735427003,
"volume": 78.75550063465872,
"volume_molar": 15.809223681539471,
"formula_full": "Sr1 N1 F1",
"formula_reduced": "SrNF",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-110996",
"created_at": "2022-09-04T14:38:36.166039Z",
"updated_at": "2022-09-04T14:38:36.166078Z",
"structure_string": "Sr1 Nd1 V1 O4\n1.0\n3.704468 0.006470 -5.724499\n-0.317714 3.690824 -5.724499\n-0.005927 -0.006470 6.818573\nSr Nd V O\n1 1 1 4\ndirect\n0.643896 0.643895 0.000000 Sr\n0.359069 0.359068 0.000000 Nd\n0.002097 0.002097 0.000000 V\n0.993290 0.493289 0.500000 O\n0.493290 0.993288 0.499999 O\n0.835549 0.835547 0.000000 O\n0.172813 0.172813 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Nd",
"V",
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],
"chemical_system": "Nd-O-Sr-V",
"density": 6.1944050224965865,
"density_atomic": 0.07529533582209433,
"volume": 92.9672458934163,
"volume_molar": 7.998026297709784,
"formula_full": "Sr1 Nd1 V1 O4",
"formula_reduced": "SrNdVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0117508585714288,
"spacegroup": 107
},
{
"id": "jvasp-31210",
"created_at": "2022-09-04T14:37:36.154256Z",
"updated_at": "2022-09-04T14:37:36.154280Z",
"structure_string": "Sr2 Nd4 Se8\n1.0\n7.822247 0.002928 -0.005071\n-2.604656 7.375861 0.005071\n-2.612936 -3.686466 6.385148\nSr Nd Se\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.626843 0.376844 Nd\n0.750000 0.873157 0.123157 Nd\n0.623157 0.373157 0.250000 Nd\n0.876844 0.126843 0.750000 Nd\n0.143968 0.152483 0.144726 Se\n0.356031 0.500758 0.008515 Se\n0.644726 0.652482 0.643969 Se\n0.508515 0.000758 0.856032 Se\n0.507757 0.999242 0.355274 Se\n0.991485 0.847518 0.492243 Se\n0.855274 0.499242 0.007757 Se\n0.992243 0.347518 0.491485 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Nd",
"Se"
],
"chemical_system": "Nd-Se-Sr",
"density": 6.23702801642251,
"density_atomic": 0.037997558265348036,
"volume": 368.4447274804848,
"volume_molar": 15.848757222623712,
"formula_full": "Sr2 Nd4 Se8",
"formula_reduced": "Sr(NdSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0558846823809525,
"spacegroup": 122
},
{
"id": "jvasp-13351",
"created_at": "2022-09-04T14:36:56.598901Z",
"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Nd-S-Sr",
"density": 5.127542986181855,
"density_atomic": 0.04285625052241286,
"volume": 326.6734683818948,
"volume_molar": 14.051954351094142,
"formula_full": "Sr2 Nd4 S8",
"formula_reduced": "Sr(NdS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-117369",
"created_at": "2022-09-04T14:38:27.085549Z",
"updated_at": "2022-09-04T14:38:27.085586Z",
"structure_string": "Sr2 Nd2 Ni2 O8\n1.0\n6.673053 0.046773 0.000000\n-4.533049 4.897274 0.000000\n-0.000000 -0.000000 5.401607\nSr Nd Ni O\n2 2 2 8\ndirect\n0.894273 0.105725 0.250000 Sr\n0.105725 0.894273 0.750000 Sr\n0.383395 0.616603 0.750000 Nd\n0.616603 0.383395 0.250000 Nd\n0.250822 0.749177 0.250000 Ni\n0.749176 0.250822 0.750000 Ni\n0.578503 0.421496 0.750000 O\n0.092016 0.907982 0.250000 O\n0.421496 0.578503 0.250000 O\n0.907982 0.092016 0.750000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Nd-Ni-O-Sr",
"density": 6.627499785128059,
"density_atomic": 0.07879841835971634,
"volume": 177.66854070712085,
"volume_molar": 7.642464005443371,
"formula_full": "Sr2 Nd2 Ni2 O8",
"formula_reduced": "SrNdNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5466677442857146,
"spacegroup": 63
},
{
"id": "jvasp-108735",
"created_at": "2022-09-04T14:38:18.442582Z",
"updated_at": "2022-09-04T14:38:18.442603Z",
"structure_string": "Sr1 Nd1 Mn1 O4\n1.0\n3.662219 -0.030967 -5.765486\n-0.335652 3.646936 -5.765486\n0.028488 0.030967 6.830217\nSr Nd Mn O\n1 1 1 4\ndirect\n0.643009 0.643008 -0.000000 Sr\n0.360150 0.360150 -0.000000 Nd\n0.002558 0.002558 -0.000000 Mn\n0.835063 0.835062 -0.000000 O\n0.173417 0.173417 -0.000000 O\n0.992903 0.492902 0.500000 O\n0.492903 0.992903 0.500001 O\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Mn-Nd-O-Sr",
"density": 6.29945459334434,
"density_atomic": 0.07569988561303106,
"volume": 92.4704171388472,
"volume_molar": 7.955283830657918,
"formula_full": "Sr1 Nd1 Mn1 O4",
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"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"id": "jvasp-110539",
"created_at": "2022-09-04T14:38:39.665466Z",
"updated_at": "2022-09-04T14:38:39.665487Z",
"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.604525308519815,
"density_atomic": 0.0900401002627616,
"volume": 111.06162666209022,
"volume_molar": 6.688287487936763,
"formula_full": "Sr1 Nd1 Mn1 Co1 O6",
"formula_reduced": "SrNdMnCoO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 216
},
{
"id": "jvasp-110997",
"created_at": "2022-09-04T14:38:37.074081Z",
"updated_at": "2022-09-04T14:38:37.074105Z",
"structure_string": "Sr1 Nd1 Ga1 O4\n1.0\n3.697548 0.012152 -5.740620\n-0.309818 3.684565 -5.740620\n-0.011136 -0.012152 6.828356\nSr Nd Ga O\n1 1 1 4\ndirect\n0.643796 0.643796 0.000000 Sr\n0.359975 0.359975 0.000000 Nd\n0.006399 0.006399 0.000000 Ga\n0.992108 0.492109 0.500000 O\n0.492108 0.992110 0.500001 O\n0.834737 0.834737 0.000000 O\n0.170877 0.170877 0.000000 O\n",
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],
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"density": 6.5600246970006495,
"density_atomic": 0.07564302701946575,
"volume": 92.5399243766202,
"volume_molar": 7.961263578796601,
"formula_full": "Sr1 Nd1 Ga1 O4",
"formula_reduced": "SrNdGaO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 107
}
]
}