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=nelements&page=3566",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3564",
"results": [
{
"id": "jvasp-8822",
"created_at": "2022-09-04T14:36:46.840965Z",
"updated_at": "2022-09-04T14:36:46.840992Z",
"structure_string": "P2 H2 N4\n1.0\n4.721248 0.000219 -0.002705\n-0.000247 4.726917 -0.003627\n-2.356818 -2.360615 3.528313\nP H N\n2 2 4\ndirect\n0.989800 0.989656 0.979671 P\n0.260202 0.759979 0.520322 P\n0.491693 0.374792 0.248659 H\n0.758278 0.876152 0.251361 H\n0.125063 0.724746 0.750065 N\n0.274727 0.374814 0.249749 N\n0.624997 0.024801 0.749928 N\n0.975236 0.875060 0.250244 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"P",
"H",
"N"
],
"chemical_system": "H-N-P",
"density": 2.5326916971037705,
"density_atomic": 0.10168980732402479,
"volume": 78.67061813293411,
"volume_molar": 5.92206920090922,
"formula_full": "P2 H2 N4",
"formula_reduced": "PHN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8634505,
"spacegroup": 24
},
{
"id": "jvasp-50984",
"created_at": "2022-09-04T14:36:46.897690Z",
"updated_at": "2022-09-04T14:36:46.897711Z",
"structure_string": "Pr2 H6 O6\n1.0\n0.000000 6.489402 0.051623\n3.777666 0.000000 0.000000\n0.000000 -3.199249 -5.646538\nPr H O\n2 6 6\ndirect\n0.666690 0.250000 0.333329 Pr\n0.333311 0.750001 0.666672 Pr\n0.727854 0.250000 0.861470 H\n0.133694 0.250000 0.272138 H\n0.138489 0.250000 0.866513 H\n0.272146 0.750001 0.138530 H\n0.866306 0.750001 0.727863 H\n0.861511 0.750001 0.133488 H\n0.610182 0.250000 0.691983 O\n0.081822 0.250000 0.389790 O\n0.307976 0.250000 0.918244 O\n0.389818 0.750001 0.308018 O\n0.918178 0.750001 0.610210 O\n0.692024 0.750001 0.081757 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"H",
"O"
],
"chemical_system": "H-O-Pr",
"density": 4.625648035076689,
"density_atomic": 0.10159665521309473,
"volume": 137.79981211621177,
"volume_molar": 5.927499037609863,
"formula_full": "Pr2 H6 O6",
"formula_reduced": "Pr(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.425667192857143,
"spacegroup": 176
},
{
"id": "jvasp-100078",
"created_at": "2022-09-04T14:36:46.957532Z",
"updated_at": "2022-09-04T14:36:46.957550Z",
"structure_string": "K3 Al1 Br6\n1.0\n6.760486 -0.000000 3.903169\n2.253495 6.373848 3.903169\n-0.000000 -0.000000 7.806337\nK Al Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.773488 0.226513 0.226513 Br\n0.226513 0.226513 0.773487 Br\n0.226513 0.773487 0.773487 Br\n0.226513 0.773487 0.226513 Br\n0.773488 0.226513 0.773487 Br\n0.773488 0.773487 0.226513 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"Br"
],
"chemical_system": "Al-Br-K",
"density": 3.078918767321305,
"density_atomic": 0.029728505969054797,
"volume": 336.3774826225465,
"volume_molar": 20.25712548847429,
"formula_full": "K3 Al1 Br6",
"formula_reduced": "K3AlBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13860",
"created_at": "2022-09-04T14:36:46.749961Z",
"updated_at": "2022-09-04T14:36:46.749989Z",
"structure_string": "Yb2 P2 O8\n1.0\n4.515047 0.000000 -1.796945\n-0.715167 4.458047 -1.796945\n0.008222 0.009646 6.591438\nYb P O\n2 2 8\ndirect\n0.375000 0.125001 0.750001 Yb\n0.625000 0.875001 0.250001 Yb\n0.875000 0.625001 0.750002 P\n0.125000 0.375001 0.250001 P\n0.705354 0.584568 0.897677 O\n0.313110 0.205355 0.397676 O\n0.084566 0.692322 0.397676 O\n0.192320 0.813111 0.897677 O\n0.807680 0.186891 0.102326 O\n0.915434 0.307680 0.602326 O\n0.686890 0.794647 0.602326 O\n0.294645 0.415434 0.102325 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"P",
"O"
],
"chemical_system": "O-P-Yb",
"density": 6.700900249739735,
"density_atomic": 0.09034041893327771,
"volume": 132.83090937250117,
"volume_molar": 6.666053612666712,
"formula_full": "Yb2 P2 O8",
"formula_reduced": "YbPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7389650333333335,
"spacegroup": 88
},
{
"id": "jvasp-30359",
"created_at": "2022-09-04T14:36:46.767405Z",
"updated_at": "2022-09-04T14:36:46.767430Z",
"structure_string": "Co5 Ni1 O12\n1.0\n2.431332 4.223331 0.453426\n-2.457864 4.226483 0.226713\n0.403660 0.701177 8.693031\nCo Ni O\n5 1 12\ndirect\n0.166644 0.666712 0.500000 Co\n0.666665 0.666667 0.000000 Co\n0.333335 0.333333 0.000000 Co\n0.833357 0.333288 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.035843 0.335990 0.891127 O\n0.300144 0.000000 0.108873 O\n0.628166 0.335990 0.108873 O\n0.797772 0.666675 0.608034 O\n0.131097 0.000000 0.608023 O\n0.202228 0.333325 0.391966 O\n0.535553 0.666675 0.391966 O\n0.699855 0.000001 0.891127 O\n0.371835 0.664009 0.891127 O\n0.964157 0.664009 0.108873 O\n0.464447 0.333325 0.608034 O\n0.868903 0.000000 0.391977 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.087196055915437,
"density_atomic": 0.10111715300199914,
"volume": 178.01134096056018,
"volume_molar": 5.955607511893594,
"formula_full": "Co5 Ni1 O12",
"formula_reduced": "Co5NiO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.1861427166666667,
"spacegroup": 12
},
{
"id": "jvasp-100285",
"created_at": "2022-09-04T14:36:46.790630Z",
"updated_at": "2022-09-04T14:36:46.790640Z",
"structure_string": "Pr1 Co5 H4\n1.0\n5.185097 -0.020285 0.000000\n-2.329957 4.632164 0.000000\n0.000000 0.000000 4.021949\nPr Co H\n1 5 4\ndirect\n0.500000 0.499999 0.500000 Pr\n0.864315 0.135684 0.500000 Co\n0.135684 0.864314 0.500000 Co\n-0.000001 0.500000 0.000000 Co\n0.500000 -0.000001 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.644543 0.355456 0.000000 H\n0.355456 0.644542 0.000000 H\n-0.000001 0.500000 0.500000 H\n0.500000 -0.000001 0.500000 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Co",
"H"
],
"chemical_system": "Co-H-Pr",
"density": 7.5716438630163125,
"density_atomic": 0.10372371836034701,
"volume": 96.40996445247902,
"volume_molar": 5.805943765994249,
"formula_full": "Pr1 Co5 H4",
"formula_reduced": "PrCo5H4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 3.394257435,
"spacegroup": 65
},
{
"id": "jvasp-2796",
"created_at": "2022-09-04T14:36:46.793588Z",
"updated_at": "2022-09-04T14:36:46.793599Z",
"structure_string": "Tl1 Sb1 F6\n1.0\n5.129543 -0.070141 -0.601860\n-0.668433 5.086289 -0.601860\n-0.062379 -0.070141 5.164354\nTl Sb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.762917 0.762917 0.416864 F\n0.762917 0.416865 0.762916 F\n0.237083 0.583135 0.237083 F\n0.237083 0.237083 0.583135 F\n0.583135 0.237083 0.237083 F\n0.416865 0.762917 0.762916 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"F"
],
"chemical_system": "F-Sb-Tl",
"density": 5.4517623477065555,
"density_atomic": 0.05967510113785935,
"volume": 134.05926169305818,
"volume_molar": 10.091546801215904,
"formula_full": "Tl1 Sb1 F6",
"formula_reduced": "TlSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-100831",
"created_at": "2022-09-04T14:36:46.796522Z",
"updated_at": "2022-09-04T14:36:46.796546Z",
"structure_string": "Ho2 Ge2 Pd2\n1.0\n4.426078 0.009160 3.491025\n2.297967 3.782804 3.491025\n-0.012713 -0.007170 6.998212\nHo Ge Pd\n2 2 2\ndirect\n0.452273 0.452271 0.308839 Ho\n0.547730 0.547728 0.691158 Ho\n0.158189 0.158188 0.901075 Ge\n0.841813 0.841811 0.098923 Ge\n0.823785 0.823782 0.721424 Pd\n0.176217 0.176217 0.278574 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Pd"
],
"chemical_system": "Ge-Ho-Pd",
"density": 9.743908532239287,
"density_atomic": 0.05117515116761564,
"volume": 117.24440207998614,
"volume_molar": 11.767704877461888,
"formula_full": "Ho2 Ge2 Pd2",
"formula_reduced": "HoGePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8406157388888889,
"spacegroup": 12
},
{
"id": "jvasp-9712",
"created_at": "2022-09-04T14:36:46.802936Z",
"updated_at": "2022-09-04T14:36:46.802960Z",
"structure_string": "Er2 Nb2 O8\n1.0\n4.773666 0.014043 -1.835586\n-1.194657 4.747572 -1.993196\n-0.025477 -0.003261 6.520145\nEr Nb O\n2 2 8\ndirect\n0.378412 0.628412 0.756822 Er\n0.621588 0.371587 0.243176 Er\n0.858163 0.108163 0.716325 Nb\n0.141836 0.891837 0.283673 Nb\n0.991494 0.781047 0.562881 O\n0.571389 0.281836 0.562882 O\n0.008506 0.218953 0.437117 O\n0.428611 0.718163 0.437116 O\n0.214981 0.376584 0.925478 O\n0.710497 0.048894 0.925478 O\n0.785018 0.623415 0.074520 O\n0.289502 0.951106 0.074520 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Nb",
"O"
],
"chemical_system": "Er-Nb-O",
"density": 7.29294674793746,
"density_atomic": 0.0812908714371539,
"volume": 147.6180509305675,
"volume_molar": 7.4081390118393875,
"formula_full": "Er2 Nb2 O8",
"formula_reduced": "ErNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4916689000000005,
"spacegroup": 15
},
{
"id": "jvasp-16109",
"created_at": "2022-09-04T14:36:46.805620Z",
"updated_at": "2022-09-04T14:36:46.805654Z",
"structure_string": "Nd2 As2 Pd2\n1.0\n2.191365 -3.795556 -0.000000\n2.191365 3.795556 -0.000000\n-0.000000 0.000000 7.832539\nNd As Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.666666 0.333332 0.750000 As\n0.333332 0.666666 0.250000 As\n0.333332 0.666666 0.750000 Pd\n0.666666 0.333332 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"As",
"Pd"
],
"chemical_system": "As-Nd-Pd",
"density": 8.298869359492866,
"density_atomic": 0.04604988652590738,
"volume": 130.29348067175883,
"volume_molar": 13.077428011927852,
"formula_full": "Nd2 As2 Pd2",
"formula_reduced": "NdAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2687729833333337,
"spacegroup": 194
},
{
"id": "jvasp-52381",
"created_at": "2022-09-04T14:36:46.811328Z",
"updated_at": "2022-09-04T14:36:46.811340Z",
"structure_string": "Sn8 O4 F8\n1.0\n7.931978 0.000000 0.000000\n0.000000 7.931978 -0.000000\n0.000000 0.000000 5.604333\nSn O F\n8 4 8\ndirect\n0.227802 0.500000 0.185874 Sn\n0.000000 0.727802 0.685874 Sn\n0.000000 0.272198 0.685874 Sn\n0.772199 0.500000 0.185874 Sn\n0.727802 0.000000 0.314125 Sn\n0.500000 0.227802 0.814125 Sn\n0.500000 0.772199 0.814125 Sn\n0.272198 0.000000 0.314125 Sn\n0.500000 0.000000 0.107321 O\n0.500000 0.000000 0.607320 O\n0.000000 0.500000 0.892679 O\n0.000000 0.500000 0.392679 O\n0.199953 0.199953 0.000000 F\n0.199953 0.800047 0.000000 F\n0.800047 0.199953 0.000000 F\n0.800047 0.800047 0.000000 F\n0.699953 0.699953 0.500000 F\n0.699953 0.300047 0.500000 F\n0.300047 0.699953 0.500000 F\n0.300047 0.300047 0.500000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"O",
"F"
],
"chemical_system": "F-O-Sn",
"density": 5.489538745855395,
"density_atomic": 0.05672089321117362,
"volume": 352.6037561774528,
"volume_molar": 10.617147261026702,
"formula_full": "Sn8 O4 F8",
"formula_reduced": "Sn2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2292514929999999,
"spacegroup": 137
},
{
"id": "jvasp-102705",
"created_at": "2022-09-04T14:36:46.820177Z",
"updated_at": "2022-09-04T14:36:46.820209Z",
"structure_string": "Na1 Co1 O2\n1.0\n2.803933 0.003691 4.776675\n1.301205 2.483731 4.776675\n0.006091 0.003691 5.538828\nNa Co O\n1 1 2\ndirect\n0.830488 0.830489 0.830492 Na\n0.000863 0.000863 0.000863 Co\n0.604405 0.604406 0.604408 O\n0.396595 0.396595 0.396596 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.920148576899359,
"density_atomic": 0.10403570375759301,
"volume": 38.448338940640475,
"volume_molar": 5.788532727218155,
"formula_full": "Na1 Co1 O2",
"formula_reduced": "NaCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.475546725,
"spacegroup": 160
}
]
}