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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4471",
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"results": [
{
"id": "jvasp-120015",
"created_at": "2022-09-04T14:38:52.394943Z",
"updated_at": "2022-09-04T14:38:52.394967Z",
"structure_string": "C1 Br1\n1.0\n3.900760 -0.000000 0.000000\n-1.950380 3.378157 -0.000000\n0.000000 0.000000 3.286135\nC Br\n1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Br-C",
"density": 3.524679319733075,
"density_atomic": 0.04618655123637224,
"volume": 43.30264863822492,
"volume_molar": 13.03873226901064,
"formula_full": "C1 Br1",
"formula_reduced": "CBr",
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"spacegroup": 187
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{
"id": "jvasp-120013",
"created_at": "2022-09-04T14:38:52.367268Z",
"updated_at": "2022-09-04T14:38:52.367279Z",
"structure_string": "C2 Br1\n1.0\n3.933037 0.562289 -0.153114\n-2.774926 -2.849503 0.020217\n-0.252842 0.211842 -6.043431\nC Br\n2 1\ndirect\n0.158346 0.676358 0.414801 C\n0.661056 0.173770 0.414739 C\n0.914306 0.929418 0.914689 Br\n",
"nsites": 3,
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"density": 2.9509143780862863,
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"volume": 58.480919674784786,
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"formula_full": "C2 Br1",
"formula_reduced": "C2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 3.760208035,
"spacegroup": 65
},
{
"id": "jvasp-117754",
"created_at": "2022-09-04T14:38:26.062410Z",
"updated_at": "2022-09-04T14:38:26.062435Z",
"structure_string": "C2 Br1\n1.0\n6.212124 0.000000 0.000000\n0.000000 3.492049 0.000000\n0.000000 0.000000 2.565393\nC Br\n2 1\ndirect\n-0.033326 0.000000 0.746793 C\n-0.033326 0.000000 0.253206 C\n0.466652 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-C",
"density": 3.1009620528152695,
"density_atomic": 0.05390721607978106,
"volume": 55.65117656159595,
"volume_molar": 11.171307290451455,
"formula_full": "C2 Br1",
"formula_reduced": "C2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 3.809634701666666,
"spacegroup": 47
},
{
"id": "jvasp-12916",
"created_at": "2022-09-04T14:37:02.416811Z",
"updated_at": "2022-09-04T14:37:02.416831Z",
"structure_string": "Br8 O4\n1.0\n3.876336 0.000000 0.000000\n0.000000 6.776501 0.000000\n0.000000 0.000000 10.334601\nBr O\n8 4\ndirect\n0.640192 0.320519 0.507466 Br\n0.359809 0.820519 0.492534 Br\n0.859809 0.320519 0.007466 Br\n0.140192 0.820519 0.992534 Br\n0.095964 0.496447 0.227335 Br\n0.904037 -0.003553 0.772665 Br\n0.404036 0.496447 0.727335 Br\n0.595965 -0.003553 0.272665 Br\n0.350381 0.704934 0.147713 O\n0.649620 0.204935 0.852287 O\n0.149619 0.704934 0.647713 O\n0.850382 0.204935 0.352287 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 4.301556233570472,
"density_atomic": 0.04420390234069025,
"volume": 271.46924512485515,
"volume_molar": 13.623550051273513,
"formula_full": "Br8 O4",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7060572366666669,
"spacegroup": 33
},
{
"id": "jvasp-117833",
"created_at": "2022-09-04T14:38:52.259816Z",
"updated_at": "2022-09-04T14:38:52.259843Z",
"structure_string": "Br3 O1\n1.0\n5.147701 0.542589 0.200728\n-5.711489 -6.597580 0.473459\n0.800292 3.343187 -3.683712\nBr O\n3 1\ndirect\n0.122855 0.077924 -0.101180 Br\n0.475606 0.731695 0.277526 Br\n0.061657 -0.263346 -0.134958 Br\n0.021290 0.488888 0.845451 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 4.123460648727926,
"density_atomic": 0.03884388486949259,
"volume": 102.97631180401167,
"volume_molar": 15.503446115735196,
"formula_full": "Br3 O1",
"formula_reduced": "Br3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5762114537499999,
"spacegroup": 1
},
{
"id": "jvasp-117827",
"created_at": "2022-09-04T14:38:28.847173Z",
"updated_at": "2022-09-04T14:38:28.847198Z",
"structure_string": "Br1 O2\n1.0\n4.813982 0.000000 -0.103437\n0.000000 3.032427 0.000000\n-0.071868 0.000000 3.940404\nBr O\n1 2\ndirect\n0.583552 0.000000 -0.039566 Br\n-0.141533 0.000000 -0.469023 O\n-0.042019 0.000000 -0.091411 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 3.231652929500524,
"density_atomic": 0.05217421414560846,
"volume": 57.49966816227575,
"volume_molar": 11.54236984421717,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9271203683333336,
"spacegroup": 6
},
{
"id": "jvasp-117829",
"created_at": "2022-09-04T14:38:28.903590Z",
"updated_at": "2022-09-04T14:38:28.903613Z",
"structure_string": "Br1 O2\n1.0\n3.895527 0.025752 -0.171392\n0.204703 -3.448923 -0.150781\n1.275828 -2.673088 -3.177453\nBr O\n1 2\ndirect\n-0.104382 0.157506 0.932853 Br\n0.451544 0.044867 0.239956 O\n0.865205 0.195437 0.534227 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 4.591344070776912,
"density_atomic": 0.07412608160304779,
"volume": 40.4715848338684,
"volume_molar": 8.124186021661224,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5940770350000006,
"spacegroup": 1
},
{
"id": "jvasp-117826",
"created_at": "2022-09-04T14:38:28.825215Z",
"updated_at": "2022-09-04T14:38:28.825238Z",
"structure_string": "Br2 O1\n1.0\n4.014662 0.863785 -0.563438\n-1.566409 -4.009490 0.643756\n-0.455236 3.552678 -5.230236\nBr O\n2 1\ndirect\n0.328530 0.543823 0.642600 Br\n0.924009 0.296376 0.131974 Br\n-0.081567 0.014141 0.269057 O\n",
"nsites": 3,
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"elements": [
"Br",
"O"
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"chemical_system": "Br-O",
"density": 4.063566034288137,
"density_atomic": 0.04175825361360487,
"volume": 71.84208486684888,
"volume_molar": 14.421438252000993,
"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7218005700000003,
"spacegroup": 1
},
{
"id": "jvasp-117823",
"created_at": "2022-09-04T14:38:28.774327Z",
"updated_at": "2022-09-04T14:38:28.774354Z",
"structure_string": "Br2 O1\n1.0\n4.171415 0.000000 -0.004049\n0.000000 3.436941 0.000000\n-0.023842 0.000000 5.386223\nBr O\n2 1\ndirect\n0.047306 0.000000 -0.034992 Br\n-0.102953 0.000000 0.466036 Br\n0.455648 0.000000 -0.031044 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 3.7804918766395685,
"density_atomic": 0.038849310491528295,
"volume": 77.22144774369154,
"volume_molar": 15.501280933449829,
"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7740139033333335,
"spacegroup": 25
},
{
"id": "jvasp-117825",
"created_at": "2022-09-04T14:38:50.040256Z",
"updated_at": "2022-09-04T14:38:50.040274Z",
"structure_string": "Br1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nBr O\n1 1\ndirect\n0.000000 0.000000 0.848565 Br\n0.000000 0.000000 0.151435 O\n",
"nsites": 2,
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"elements": [
"Br",
"O"
],
"chemical_system": "Br-O",
"density": 0.7676295457877751,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
"volume_molar": 62.46724119277975,
"formula_full": "Br1 O1",
"formula_reduced": "BrO",
"formula_anonymous": "AB",
"energy_above_hull": 1.5193388025,
"spacegroup": 99
},
{
"id": "jvasp-117824",
"created_at": "2022-09-04T14:38:49.682132Z",
"updated_at": "2022-09-04T14:38:49.682148Z",
"structure_string": "Br2 O1\n1.0\n3.666154 0.000000 0.000000\n0.000000 3.509521 0.000000\n0.000000 0.000000 6.303690\nBr O\n2 1\ndirect\n0.049834 0.000000 0.732781 Br\n0.049834 0.000000 0.267219 Br\n0.300331 0.000000 0.000000 O\n",
"nsites": 3,
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"density_atomic": 0.036988596939854505,
"volume": 81.10607722910294,
"volume_molar": 16.281073785502954,
"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7754005700000003,
"spacegroup": 25
},
{
"id": "jvasp-117822",
"created_at": "2022-09-04T14:38:50.313698Z",
"updated_at": "2022-09-04T14:38:50.313722Z",
"structure_string": "Br2 O2\n1.0\n4.226016 -0.064451 0.353215\n0.983346 -4.236906 0.012001\n-0.687034 2.924487 -4.624262\nBr O\n2 2\ndirect\n0.069840 0.047245 0.973226 Br\n0.652114 0.278728 0.529390 Br\n0.479659 0.117358 0.088863 O\n0.865052 0.445096 0.948992 O\n",
"nsites": 4,
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"density": 3.8678952359649754,
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"volume": 82.34522012850529,
"volume_molar": 12.397362663176105,
"formula_full": "Br2 O2",
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"formula_anonymous": "AB",
"energy_above_hull": 0.9097688025,
"spacegroup": 1
}
]
}