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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4100",
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{
"id": "jvasp-121286",
"created_at": "2022-09-04T14:38:55.331451Z",
"updated_at": "2022-09-04T14:38:55.331478Z",
"structure_string": "As2 Br1\n1.0\n5.643158 -1.745592 1.317174\n-1.427541 -3.308361 -1.299019\n-0.884728 -4.265055 -4.901628\nAs Br\n2 1\ndirect\n0.731676 0.094675 0.242952 As\n0.506046 0.962050 0.620526 As\n0.118938 0.028149 0.931798 Br\n",
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"elements": [
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"density": 5.112716631671316,
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"volume": 74.61868680119908,
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"formula_full": "As2 Br1",
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{
"id": "jvasp-123709",
"created_at": "2022-09-04T14:38:55.311437Z",
"updated_at": "2022-09-04T14:38:55.311455Z",
"structure_string": "Sm1 Se2\n1.0\n2.201075 -3.723806 -0.607701\n2.124375 3.679523 -0.000000\n-0.732682 0.423014 5.892105\nSm Se\n1 2\ndirect\n-0.000000 0.333354 0.166667 Sm\n0.771350 0.718997 0.431895 Se\n0.228653 -0.052351 0.901440 Se\n",
"nsites": 3,
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"volume": 92.14621769468621,
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"formula_full": "Sm1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-122091",
"created_at": "2022-09-04T14:38:55.436474Z",
"updated_at": "2022-09-04T14:38:55.436500Z",
"structure_string": "Tm10 Ga6\n1.0\n8.394770 0.019037 0.102166\n-4.182404 7.278737 0.102166\n-0.015601 -0.027028 6.373276\nTm Ga\n10 6\ndirect\n0.854869 0.145131 0.500001 Tm\n0.145132 0.854869 0.500001 Tm\n0.814523 0.185478 0.000001 Tm\n0.185478 0.814523 0.000001 Tm\n0.506103 0.745827 0.264487 Tm\n0.493897 0.254174 0.735515 Tm\n0.254174 0.493897 0.735515 Tm\n0.745827 0.506103 0.264487 Tm\n0.268605 0.268605 0.227198 Tm\n0.731396 0.731396 0.772804 Tm\n0.908460 0.908459 0.190631 Ga\n0.091541 0.091541 0.809371 Ga\n0.501792 0.098781 0.285421 Ga\n0.498209 0.901220 0.714581 Ga\n0.901220 0.498208 0.714581 Ga\n0.098781 0.501792 0.285421 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.974476703548225,
"density_atomic": 0.04102752555269479,
"volume": 389.9820860375792,
"volume_molar": 14.67829384997958,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
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"spacegroup": 12
},
{
"id": "jvasp-123700",
"created_at": "2022-09-04T14:38:55.125410Z",
"updated_at": "2022-09-04T14:38:55.125438Z",
"structure_string": "Rb1 Se2\n1.0\n2.761878 -4.142534 -0.293650\n2.206603 3.821945 -0.000000\n-0.509859 0.294367 5.036924\nRb Se\n1 2\ndirect\n-0.000000 0.333296 0.166667 Rb\n0.727590 0.697148 0.619526 Se\n0.272408 -0.030443 0.713806 Se\n",
"nsites": 3,
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"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.105276274371998,
"density_atomic": 0.030473037175446104,
"volume": 98.44768615375412,
"volume_molar": 19.762194117140343,
"formula_full": "Rb1 Se2",
"formula_reduced": "RbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-123661",
"created_at": "2022-09-04T14:38:55.167077Z",
"updated_at": "2022-09-04T14:38:55.167094Z",
"structure_string": "Se2 F1\n1.0\n1.857021 -3.390168 -0.116922\n2.007462 3.477025 -0.000000\n-0.166573 0.096171 4.280994\nSe F\n2 1\ndirect\n0.694487 0.680562 0.514161 Se\n0.305513 -0.013926 0.819172 Se\n-0.000000 0.333364 0.166667 F\n",
"nsites": 3,
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"elements": [
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"F"
],
"chemical_system": "F-Se",
"density": 5.182531191261093,
"density_atomic": 0.05292258765590692,
"volume": 56.68657057182194,
"volume_molar": 11.37915023950618,
"formula_full": "Se2 F1",
"formula_reduced": "Se2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5983690052777776,
"spacegroup": 12
},
{
"id": "jvasp-123671",
"created_at": "2022-09-04T14:38:55.156264Z",
"updated_at": "2022-09-04T14:38:55.156292Z",
"structure_string": "Se2 I1\n1.0\n1.877895 -3.684494 0.060882\n2.251920 3.900437 0.000000\n0.128752 -0.074335 5.766056\nSe I\n2 1\ndirect\n0.735762 0.701204 0.551050 Se\n0.264234 -0.034560 0.782284 Se\n-0.000000 0.333356 0.166667 I\n",
"nsites": 3,
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"elements": [
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"I"
],
"chemical_system": "I-Se",
"density": 5.253069490823212,
"density_atomic": 0.03332023113049015,
"volume": 90.03538985822962,
"volume_molar": 18.07352637025784,
"formula_full": "Se2 I1",
"formula_reduced": "Se2I",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-123649",
"created_at": "2022-09-04T14:38:55.126421Z",
"updated_at": "2022-09-04T14:38:55.126455Z",
"structure_string": "C1 Se2\n1.0\n1.982340 -3.623590 0.296738\n2.146953 3.718629 0.000000\n0.336176 -0.194091 5.826912\nC Se\n1 2\ndirect\n0.000000 0.000038 0.166667 C\n0.699983 0.849973 0.424875 Se\n0.300017 0.149990 0.908458 Se\n",
"nsites": 3,
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"elements": [
"C",
"Se"
],
"chemical_system": "C-Se",
"density": 3.2142047512237717,
"density_atomic": 0.03417227160840182,
"volume": 87.79047627791886,
"volume_molar": 17.622886851102276,
"formula_full": "C1 Se2",
"formula_reduced": "CSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8473855777777777,
"spacegroup": 12
},
{
"id": "jvasp-123667",
"created_at": "2022-09-04T14:38:55.118315Z",
"updated_at": "2022-09-04T14:38:55.118341Z",
"structure_string": "He1 Se2\n1.0\n2.504831 -3.631997 -0.463919\n1.892987 3.278748 -0.000000\n-0.517128 0.298564 4.992636\nHe Se\n1 2\ndirect\n0.000000 0.333667 0.166667 He\n0.714415 0.690374 0.566457 Se\n0.285585 -0.024042 0.766877 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"He",
"Se"
],
"chemical_system": "He-Se",
"density": 3.6197877305611694,
"density_atomic": 0.0403875758659564,
"volume": 74.28026901037079,
"volume_molar": 14.910874522370625,
"formula_full": "He1 Se2",
"formula_reduced": "HeSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7560600277777776,
"spacegroup": 12
},
{
"id": "jvasp-123686",
"created_at": "2022-09-04T14:38:55.266794Z",
"updated_at": "2022-09-04T14:38:55.266820Z",
"structure_string": "Ne1 Se2\n1.0\n2.554662 -3.584566 -0.522691\n1.826996 3.164447 -0.000000\n-0.573500 0.331110 5.769074\nNe Se\n1 2\ndirect\n0.000000 0.333704 0.166667 Ne\n0.716191 0.691243 0.576801 Se\n0.283809 -0.024948 0.756532 Se\n",
"nsites": 3,
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"elements": [
"Ne",
"Se"
],
"chemical_system": "Ne-Se",
"density": 3.5565285986854227,
"density_atomic": 0.03607740357617235,
"volume": 83.15454280588466,
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"formula_full": "Ne1 Se2",
"formula_reduced": "NeSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-123674",
"created_at": "2022-09-04T14:38:55.197848Z",
"updated_at": "2022-09-04T14:38:55.197867Z",
"structure_string": "K1 Se2\n1.0\n2.855516 -4.082112 -0.308446\n2.107457 3.650220 -0.000000\n-0.590997 0.341212 4.806422\nK Se\n1 2\ndirect\n0.000000 0.333436 0.166667 K\n0.728245 0.697405 0.614474 Se\n0.271756 -0.030840 0.718858 Se\n",
"nsites": 3,
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"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.6125771274437843,
"density_atomic": 0.033127046536298124,
"volume": 90.56044270994173,
"volume_molar": 18.178924442906165,
"formula_full": "K1 Se2",
"formula_reduced": "KSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-123640",
"created_at": "2022-09-04T14:38:55.094929Z",
"updated_at": "2022-09-04T14:38:55.094946Z",
"structure_string": "Al1 Se2\n1.0\n1.982696 -3.269382 -0.347936\n1.840021 3.187009 -0.000000\n-0.472872 0.273013 5.443576\nAl Se\n1 2\ndirect\n0.000000 0.333341 0.166667 Al\n0.742560 0.704610 0.420453 Se\n0.257442 -0.037950 0.912880 Se\n",
"nsites": 3,
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"elements": [
"Al",
"Se"
],
"chemical_system": "Al-Se",
"density": 4.620894081310615,
"density_atomic": 0.045149988715648355,
"volume": 66.44519933091904,
"volume_molar": 13.338078106568409,
"formula_full": "Al1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-123643",
"created_at": "2022-09-04T14:38:55.089236Z",
"updated_at": "2022-09-04T14:38:55.089260Z",
"structure_string": "Au1 Se2\n1.0\n2.124895 -3.469308 -0.077980\n1.942063 3.363750 -0.000000\n-0.094527 0.054575 4.873773\nAu Se\n1 2\ndirect\n-0.000000 0.333329 0.166667 Au\n0.746657 0.706662 0.466486 Se\n0.253341 -0.039996 0.866847 Se\n",
"nsites": 3,
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],
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"volume": 67.64040045628751,
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"formula_full": "Au1 Se2",
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}
]
}