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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=281",
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{
"id": "jvasp-79520",
"created_at": "2022-09-04T14:37:11.679667Z",
"updated_at": "2022-09-04T14:37:11.679685Z",
"structure_string": "Zn2 Bi2\n1.0\n-2.386598 -4.139657 0.000000\n-2.386598 4.139657 0.000000\n0.000000 0.000000 -6.182891\nZn Bi\n2 2\ndirect\n0.243026 0.756974 0.560023 Zn\n0.756974 0.243026 0.060023 Zn\n0.422255 0.577746 0.057977 Bi\n0.577746 0.422255 0.557977 Bi\n",
"nsites": 4,
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"elements": [
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"density": 7.459010296561446,
"density_atomic": 0.032741213728887116,
"volume": 122.17018077344079,
"volume_molar": 18.393150632307655,
"formula_full": "Zn2 Bi2",
"formula_reduced": "ZnBi",
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{
"id": "jvasp-79033",
"created_at": "2022-09-04T14:37:11.721114Z",
"updated_at": "2022-09-04T14:37:11.721123Z",
"structure_string": "Hg3 Rh1\n1.0\n-2.068015 2.068015 4.634913\n2.068015 -2.068015 4.634913\n2.068015 2.068015 -4.634913\nHg Rh\n3 1\ndirect\n0.750002 0.250000 0.500001 Hg\n0.250000 0.750002 0.500001 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 79.28827089902948,
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"formula_full": "Hg3 Rh1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-81812",
"created_at": "2022-09-04T14:37:11.793397Z",
"updated_at": "2022-09-04T14:37:11.793423Z",
"structure_string": "Ca1 Hg2 Pd1\n1.0\n-7.399341 -3.165298 -9.425490\n-4.531700 -2.212927 -1.723174\n-3.261850 1.460529 -3.952944\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750094 -0.000231 -0.000244 Hg\n0.249907 0.000230 0.000243 Hg\n0.500000 -0.000000 -0.000001 Pd\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pd"
],
"chemical_system": "Ca-Hg-Pd",
"density": 10.577156542758637,
"density_atomic": 0.04652158791337964,
"volume": 85.98158789093262,
"volume_molar": 12.944830626187695,
"formula_full": "Ca1 Hg2 Pd1",
"formula_reduced": "CaHg2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-81956",
"created_at": "2022-09-04T14:37:17.549023Z",
"updated_at": "2022-09-04T14:37:17.549050Z",
"structure_string": "Y1 Zn1 Hg2\n1.0\n-10.027979 0.000000 -5.789657\n-6.526963 -0.081250 -0.274282\n-5.480012 2.879973 -2.087654\nY Zn Hg\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Y\n0.000000 0.000000 0.000000 Zn\n0.771639 -0.000001 -0.000000 Hg\n0.228362 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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"elements": [
"Y",
"Zn",
"Hg"
],
"chemical_system": "Hg-Y-Zn",
"density": 9.06231238391228,
"density_atomic": 0.03929794906712147,
"volume": 101.78648237260276,
"volume_molar": 15.324313107826816,
"formula_full": "Y1 Zn1 Hg2",
"formula_reduced": "YZnHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-80770",
"created_at": "2022-09-04T14:37:15.702712Z",
"updated_at": "2022-09-04T14:37:15.702726Z",
"structure_string": "Li1 Cd2 Hg1\n1.0\n-11.817604 2.032418 -3.505817\n-8.078076 1.067683 0.340473\n-7.136524 3.730712 -1.290593\nLi Cd Hg\n1 2 1\ndirect\n0.000000 -0.000000 -0.000000 Li\n0.714719 0.023909 0.023887 Cd\n0.285281 -0.023910 -0.023885 Cd\n0.500000 -0.000001 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 8.53577258785595,
"density_atomic": 0.04755708787697274,
"volume": 84.10943938257434,
"volume_molar": 12.662972080163755,
"formula_full": "Li1 Cd2 Hg1",
"formula_reduced": "LiCd2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-9125",
"created_at": "2022-09-04T14:37:07.705363Z",
"updated_at": "2022-09-04T14:37:07.705397Z",
"structure_string": "Pb4 F8\n1.0\n3.897906 -0.000000 0.000000\n-0.000000 6.455488 0.000000\n0.000000 0.000000 7.683951\nPb F\n4 8\ndirect\n0.250000 0.754640 0.606807 Pb\n0.750001 0.245360 0.393193 Pb\n0.250000 0.254640 0.893193 Pb\n0.750001 0.745360 0.106807 Pb\n0.250000 0.973238 0.342396 F\n0.750001 0.026762 0.657604 F\n0.250000 0.473238 0.157604 F\n0.750001 0.526762 0.842395 F\n0.750001 0.140750 0.066945 F\n0.250000 0.859250 0.933055 F\n0.750001 0.640751 0.433055 F\n0.250000 0.359250 0.566945 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Pb",
"density": 8.423234114206394,
"density_atomic": 0.06206349371243028,
"volume": 193.35037849467054,
"volume_molar": 9.703193294118192,
"formula_full": "Pb4 F8",
"formula_reduced": "PbF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-79635",
"created_at": "2022-09-04T14:37:17.535105Z",
"updated_at": "2022-09-04T14:37:17.535123Z",
"structure_string": "Rb3 Pt1\n1.0\n5.323143 0.000000 -0.000000\n0.000000 5.323143 0.000000\n0.000000 0.000000 5.323143\nRb Pt\n3 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Pt-Rb",
"density": 4.970388464469818,
"density_atomic": 0.0265189052675769,
"volume": 150.835789020694,
"volume_molar": 22.708858828207045,
"formula_full": "Rb3 Pt1",
"formula_reduced": "Rb3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-9532",
"created_at": "2022-09-04T14:37:20.061313Z",
"updated_at": "2022-09-04T14:37:20.061339Z",
"structure_string": "Zn2 Co2 F8\n1.0\n-5.182331 0.017981 0.112501\n-0.006870 -5.064907 0.161239\n2.427401 2.273507 4.929341\nZn Co F\n2 2 8\ndirect\n0.724152 0.771260 0.509325 Zn\n0.284611 0.265819 0.518077 Zn\n0.526296 0.020970 0.023000 Co\n0.032911 0.489885 0.021723 Co\n0.016620 0.630766 0.745323 F\n0.345796 0.888183 0.249121 F\n0.928776 0.291030 0.237523 F\n0.433080 0.389434 0.255086 F\n0.680382 0.172421 0.745949 F\n0.186189 0.145863 0.764467 F\n0.498163 0.674501 0.717870 F\n0.825562 0.787142 0.220959 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Co",
"F"
],
"chemical_system": "Co-F-Zn",
"density": 5.014770851418156,
"density_atomic": 0.09044710365598915,
"volume": 132.67423184319284,
"volume_molar": 6.658190828204847,
"formula_full": "Zn2 Co2 F8",
"formula_reduced": "ZnCoF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-35278",
"created_at": "2022-09-04T14:37:30.732840Z",
"updated_at": "2022-09-04T14:37:30.732850Z",
"structure_string": "Tm1 In1 Cu4\n1.0\n-3.600377 -3.600377 -0.000000\n-3.600377 -0.000000 -3.600377\n0.000000 -3.600377 -3.600377\nTm In Cu\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 In\n0.374975 0.374975 0.374975 Cu\n0.875077 0.374975 0.374975 Cu\n0.374975 0.875077 0.374975 Cu\n0.374975 0.374975 0.875077 Cu\n",
"nsites": 6,
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"elements": [
"Tm",
"In",
"Cu"
],
"chemical_system": "Cu-In-Tm",
"density": 9.569867937761753,
"density_atomic": 0.06428021470693888,
"volume": 93.34131859009356,
"volume_molar": 9.36857598789247,
"formula_full": "Tm1 In1 Cu4",
"formula_reduced": "TmInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-79346",
"created_at": "2022-09-04T14:37:15.780792Z",
"updated_at": "2022-09-04T14:37:15.780802Z",
"structure_string": "Ca1 Ce1 Hg2\n1.0\n-0.000690 3.774451 3.773991\n3.774139 -0.000373 3.773674\n3.774172 3.774168 -0.000406\nCa Ce Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250001 Ca\n0.750000 0.749999 0.750001 Ce\n1.000007 0.000000 1.000000 Hg\n0.499993 0.499998 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Ce",
"Hg"
],
"chemical_system": "Ca-Ce-Hg",
"density": 8.977393814427135,
"density_atomic": 0.03719679877470722,
"volume": 107.53613568272677,
"volume_molar": 16.18994364669598,
"formula_full": "Ca1 Ce1 Hg2",
"formula_reduced": "CaCeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57567",
"created_at": "2022-09-04T14:37:20.086020Z",
"updated_at": "2022-09-04T14:37:20.086049Z",
"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"S",
"Br"
],
"chemical_system": "Ag-Br-Hg-S",
"density": 6.443407534798398,
"density_atomic": 0.03691778948841566,
"volume": 433.3953961414889,
"volume_molar": 16.312300501875043,
"formula_full": "Ag4 Hg4 S4 Br4",
"formula_reduced": "AgHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-12448",
"created_at": "2022-09-04T14:37:20.121611Z",
"updated_at": "2022-09-04T14:37:20.121636Z",
"structure_string": "Ca8 Sn4\n1.0\n5.095738 0.000000 0.000000\n0.000000 7.703334 0.000000\n0.000000 0.000000 9.496933\nCa Sn\n8 4\ndirect\n0.750000 0.334518 0.072296 Ca\n0.250000 0.665481 0.927704 Ca\n0.750000 0.834518 0.427704 Ca\n0.250000 0.165481 0.572296 Ca\n0.750000 0.479295 0.691277 Ca\n0.250000 0.520705 0.308723 Ca\n0.750000 0.979294 0.808723 Ca\n0.250000 0.020705 0.191277 Ca\n0.750000 0.753025 0.104977 Sn\n0.250000 0.246975 0.895023 Sn\n0.750000 0.253025 0.395023 Sn\n0.250000 0.746974 0.604977 Sn\n",
"nsites": 12,
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],
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"density": 3.5432388922379,
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"volume": 372.7942394647926,
"volume_molar": 18.708494871451066,
"formula_full": "Ca8 Sn4",
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"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}