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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=336",
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"results": [
{
"id": "jvasp-115682",
"created_at": "2022-09-04T14:38:45.518792Z",
"updated_at": "2022-09-04T14:38:45.518816Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n7.770628 0.000000 0.698717\n0.000000 4.593564 0.000000\n-2.546333 0.000000 5.007041\nPb Br Cl\n2 2 2\ndirect\n0.715861 0.749999 0.884321 Pb\n0.284140 0.250000 0.115678 Pb\n0.077252 0.749999 0.776133 Br\n0.922748 0.250000 0.223866 Br\n0.442148 0.250000 0.710720 Cl\n0.557853 0.749999 0.289279 Cl\n",
"nsites": 6,
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"elements": [
"Pb",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Pb",
"density": 5.731653390225268,
"density_atomic": 0.03210299901914642,
"volume": 186.89842641871445,
"volume_molar": 18.75881052860002,
"formula_full": "Pb2 Br2 Cl2",
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"spacegroup": 11
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{
"id": "jvasp-117500",
"created_at": "2022-09-04T14:38:45.516985Z",
"updated_at": "2022-09-04T14:38:45.517016Z",
"structure_string": "B1 I2\n1.0\n6.830691 -0.628081 1.575317\n3.568693 -5.441195 1.153930\n0.845248 2.576983 -2.579201\nB I\n1 2\ndirect\n0.929558 0.046959 0.909401 B\n0.930180 0.329193 0.691038 I\n0.430628 0.374766 0.237454 I\n",
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"I"
],
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"density": 4.834644662457908,
"density_atomic": 0.033007615403395946,
"volume": 90.88811667659424,
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"formula_full": "B1 I2",
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"spacegroup": 25
},
{
"id": "jvasp-112948",
"created_at": "2022-09-04T14:38:45.515261Z",
"updated_at": "2022-09-04T14:38:45.515291Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n6.282469 0.011647 0.849421\n0.743852 6.238288 0.849421\n0.013093 0.011647 6.339618\nY Ga Fe\n2 2 15\ndirect\n0.653318 0.653319 0.653318 Y\n0.346682 0.346682 0.346682 Y\n0.897603 0.897605 0.897604 Ga\n0.102396 0.102396 0.102396 Ga\n0.658876 0.658877 0.159742 Fe\n0.840258 0.341125 0.341124 Fe\n0.341123 0.840259 0.341124 Fe\n0.341123 0.341125 0.840258 Fe\n0.697218 0.302783 -0.000000 Fe\n-0.000000 0.697218 0.302782 Fe\n-0.000001 0.302783 0.697218 Fe\n0.658876 0.159743 0.658876 Fe\n0.697218 0.000001 0.302782 Fe\n0.302782 0.697218 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.302782 0.000001 0.697218 Fe\n0.159741 0.658877 0.658876 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Y",
"density": 7.7243127243455945,
"density_atomic": 0.07652576395235208,
"volume": 248.28239561032203,
"volume_molar": 7.869429129449292,
"formula_full": "Y2 Ga2 Fe15",
"formula_reduced": "Y2Ga2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.741365160526315,
"spacegroup": 166
},
{
"id": "jvasp-112197",
"created_at": "2022-09-04T14:38:45.512459Z",
"updated_at": "2022-09-04T14:38:45.512494Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855065 0.026831 -0.233346\n-0.563846 4.323288 -0.553964\n-0.226463 -0.071559 15.040204\nCd H C O\n1 16 10 4\ndirect\n0.506414 0.008784 0.145015 Cd\n0.529357 0.827894 0.523873 H\n0.238590 0.598481 0.918747 H\n0.834315 0.613846 0.963384 H\n0.952834 0.477051 0.761463 H\n0.534771 0.490374 0.799233 H\n0.670124 0.373500 0.600664 H\n0.246901 0.363571 0.636656 H\n0.392787 0.269140 0.438254 H\n0.962600 0.226816 0.471296 H\n0.037346 0.034409 0.850946 H\n0.628435 0.068123 0.892833 H\n0.778521 0.930849 0.687613 H\n0.360031 0.935448 0.726128 H\n0.302625 0.719889 0.360049 H\n0.878281 0.671870 0.394082 H\n0.107121 0.808314 0.560706 H\n0.161929 0.337283 0.026563 C\n0.022039 0.455096 0.942643 C\n0.851676 0.200854 0.867919 C\n0.730483 0.332512 0.783094 C\n0.579290 0.084290 0.704670 C\n0.186911 0.100964 0.456862 C\n0.318797 0.969253 0.540703 C\n0.082299 0.846372 0.376965 C\n0.928528 0.950640 0.292356 C\n0.453692 0.217403 0.620498 C\n0.429664 0.485401 0.075468 O\n0.994895 0.814521 0.215148 O\n0.715177 0.151035 0.296648 O\n0.023975 0.078375 0.046166 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0724050572731985,
"density_atomic": 0.12374823987520955,
"volume": 250.50861354683576,
"volume_molar": 4.8664455882951225,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525728508064516,
"spacegroup": 1
},
{
"id": "jvasp-105510",
"created_at": "2022-09-04T14:38:45.512286Z",
"updated_at": "2022-09-04T14:38:45.512310Z",
"structure_string": "Fe1 Co1 Pt2\n1.0\n2.651076 0.000133 8.350405\n1.293831 2.313915 8.350405\n0.000227 0.000133 8.761134\nFe Co Pt\n1 1 2\ndirect\n0.744239 0.744236 0.744236 Fe\n0.006418 0.006418 0.006418 Co\n0.493048 0.493046 0.493046 Pt\n0.256299 0.256298 0.256298 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Pt"
],
"chemical_system": "Co-Fe-Pt",
"density": 15.603574825771137,
"density_atomic": 0.07443717760262297,
"volume": 53.73658874270711,
"volume_molar": 8.090232534270342,
"formula_full": "Fe1 Co1 Pt2",
"formula_reduced": "FeCoPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0117998000000004,
"spacegroup": 160
},
{
"id": "jvasp-116768",
"created_at": "2022-09-04T14:38:45.509075Z",
"updated_at": "2022-09-04T14:38:45.509102Z",
"structure_string": "Li4 Mn2 V6 O16\n1.0\n5.778700 0.000311 -0.000032\n2.889117 4.892008 -1.668965\n0.000091 0.001266 10.009169\nLi Mn V O\n4 2 6 16\ndirect\n0.320251 0.359536 0.559925 Li\n0.820211 0.359535 0.059925 Li\n0.745697 0.508695 0.751444 Li\n0.245610 0.508695 0.251441 Li\n0.188609 0.622792 0.937137 Mn\n0.688603 0.622791 0.437136 Mn\n0.499341 0.001281 0.010198 V\n0.734438 0.001261 0.245195 V\n0.264373 0.001333 0.245250 V\n0.234308 0.001329 0.745239 V\n0.764312 0.001263 0.745207 V\n-0.000642 0.001281 0.510199 V\n0.120977 0.222210 0.626344 O\n0.338945 0.788252 0.375727 O\n0.838942 0.788301 0.875740 O\n0.872756 0.788303 0.375741 O\n0.372805 0.788254 0.875728 O\n0.620932 0.222232 0.126355 O\n0.156807 0.222212 0.126347 O\n0.620807 0.758407 0.126396 O\n0.388877 0.222240 0.358420 O\n0.888885 0.222238 0.858419 O\n0.892420 0.215209 0.369204 O\n0.392367 0.215209 0.869204 O\n0.605869 0.788265 0.642665 O\n0.120789 0.758407 0.626395 O\n0.656830 0.222233 0.626358 O\n0.105872 0.788265 0.142665 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.103737963027182,
"density_atomic": 0.09895500504287365,
"volume": 282.9568851809831,
"volume_molar": 6.0857363984679935,
"formula_full": "Li4 Mn2 V6 O16",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1822319886699506,
"spacegroup": 160
},
{
"id": "jvasp-115607",
"created_at": "2022-09-04T14:38:45.503820Z",
"updated_at": "2022-09-04T14:38:45.503836Z",
"structure_string": "Ba1 Te1 Pd1\n1.0\n0.000000 3.592167 3.592167\n3.592167 0.000000 3.592167\n3.592167 3.592167 0.000000\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 3,
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"elements": [
"Ba",
"Te",
"Pd"
],
"chemical_system": "Ba-Pd-Te",
"density": 6.65165116120804,
"density_atomic": 0.032360982794842966,
"volume": 92.70423024600103,
"volume_molar": 18.60926411962892,
"formula_full": "Ba1 Te1 Pd1",
"formula_reduced": "BaTePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3411564788888888,
"spacegroup": 216
},
{
"id": "jvasp-102811",
"created_at": "2022-09-04T14:38:45.503353Z",
"updated_at": "2022-09-04T14:38:45.503379Z",
"structure_string": "Ag1 Pt4\n1.0\n2.788851 0.002520 11.542110\n1.376778 2.425320 11.542110\n0.004323 0.002520 11.874257\nAg Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.598880 0.598881 0.598881 Pt\n0.199462 0.199462 0.199463 Pt\n0.800537 0.800538 0.800538 Pt\n0.401119 0.401119 0.401119 Pt\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ag",
"Pt"
],
"chemical_system": "Ag-Pt",
"density": 18.410308008081564,
"density_atomic": 0.062412149310899744,
"volume": 80.11260716391949,
"volume_molar": 9.648987939834152,
"formula_full": "Ag1 Pt4",
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"formula_anonymous": "AB4",
"energy_above_hull": 2.1745985720000003,
"spacegroup": 166
},
{
"id": "jvasp-115676",
"created_at": "2022-09-04T14:38:45.500488Z",
"updated_at": "2022-09-04T14:38:45.500524Z",
"structure_string": "I1 Br1 Cl1\n1.0\n3.477819 -0.000000 -0.000000\n-0.000000 3.477819 0.000000\n-0.000000 0.000000 8.844395\nI Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.685840 I\n0.000000 0.000000 0.013749 Br\n0.000000 0.000000 0.270019 Cl\n",
"nsites": 3,
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"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-I",
"density": 3.7605499672948626,
"density_atomic": 0.028043949265918217,
"volume": 106.97494748522801,
"volume_molar": 21.473939718321706,
"formula_full": "I1 Br1 Cl1",
"formula_reduced": "IBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-113018",
"created_at": "2022-09-04T14:38:45.497268Z",
"updated_at": "2022-09-04T14:38:45.497294Z",
"structure_string": "La10 Ge6 O2\n1.0\n8.989746 0.000000 0.000000\n-4.494874 7.785348 0.000000\n-0.000000 -0.000000 6.695267\nLa Ge O\n10 6 2\ndirect\n0.229470 -0.000000 0.750000 La\n0.333334 0.666667 -0.000000 La\n0.666667 0.333333 0.500000 La\n0.333334 0.666667 0.500000 La\n0.229470 0.229470 0.250000 La\n0.666667 0.333333 -0.000000 La\n0.000000 0.770531 0.250000 La\n0.000000 0.229470 0.750000 La\n0.770531 -0.000000 0.250000 La\n0.770531 0.770531 0.750000 La\n0.602019 -0.000000 0.750000 Ge\n0.397981 -0.000000 0.250000 Ge\n0.000000 0.602019 0.750000 Ge\n0.000000 0.397981 0.250000 Ge\n0.397982 0.397981 0.750000 Ge\n0.602019 0.602019 0.250000 Ge\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
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"elements": [
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"O"
],
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"density": 6.580255265606356,
"density_atomic": 0.03841308197149301,
"volume": 468.5903623499437,
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"formula_full": "La10 Ge6 O2",
"formula_reduced": "La5Ge3O",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.717057372222222,
"spacegroup": 193
},
{
"id": "jvasp-105461",
"created_at": "2022-09-04T14:38:45.494767Z",
"updated_at": "2022-09-04T14:38:45.494792Z",
"structure_string": "Li2 Ge1 Sb2 Te5\n1.0\n4.297822 -0.005719 17.554749\n2.112807 3.742640 17.554749\n-0.009811 -0.005719 18.073195\nLi Ge Sb Te\n2 1 2 5\ndirect\n0.413081 0.413080 0.413081 Li\n0.784852 0.784851 0.784851 Li\n0.008385 0.008385 0.008385 Ge\n0.194191 0.194191 0.194191 Sb\n0.602104 0.602103 0.602103 Sb\n0.301326 0.301326 0.301326 Te\n0.495130 0.495129 0.495130 Te\n0.898660 0.898659 0.898659 Te\n0.701699 0.701698 0.701698 Te\n0.100578 0.100577 0.100578 Te\n",
"nsites": 10,
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"elements": [
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"Ge",
"Sb",
"Te"
],
"chemical_system": "Ge-Li-Sb-Te",
"density": 5.50892052161857,
"density_atomic": 0.03427071844848095,
"volume": 291.7942912411645,
"volume_molar": 17.572262948187277,
"formula_full": "Li2 Ge1 Sb2 Te5",
"formula_reduced": "Li2GeSb2Te5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 1.1567696983333335,
"spacegroup": 160
},
{
"id": "jvasp-115234",
"created_at": "2022-09-04T14:38:45.492960Z",
"updated_at": "2022-09-04T14:38:45.492986Z",
"structure_string": "Mg1 O2\n1.0\n3.134255 0.000000 0.000000\n0.000000 3.722753 0.000000\n0.000000 0.000000 3.791445\nMg O\n1 2\ndirect\n0.466669 0.000000 0.000000 Mg\n-0.033334 0.000000 0.690581 O\n-0.033334 0.000000 0.309417 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Mg-O",
"density": 2.113408716555653,
"density_atomic": 0.06781377870893625,
"volume": 44.23879714587665,
"volume_molar": 8.880408782185182,
"formula_full": "Mg1 O2",
"formula_reduced": "MgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3743645,
"spacegroup": 47
}
]
}