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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1552",
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"results": [
{
"id": "jvasp-31950",
"created_at": "2022-09-04T14:37:14.924291Z",
"updated_at": "2022-09-04T14:37:14.924314Z",
"structure_string": "P4 Br28\n1.0\n7.593622 -0.000000 0.000000\n0.000000 9.583913 0.000000\n0.000000 0.000000 14.250104\nP Br\n4 28\ndirect\n0.750000 0.382751 0.654860 P\n0.750000 0.882751 0.845139 P\n0.250000 0.117249 0.154860 P\n0.250000 0.617249 0.345140 P\n0.520026 0.757852 0.885996 Br\n0.750000 0.439477 0.026587 Br\n0.520026 0.257852 0.614004 Br\n0.250000 0.576216 0.699664 Br\n0.750000 0.579854 0.577610 Br\n0.750000 0.923783 0.199664 Br\n0.250000 0.305505 0.874927 Br\n0.250000 0.060523 0.526587 Br\n0.479974 0.242148 0.114004 Br\n0.750000 0.939477 0.473413 Br\n0.250000 0.920145 0.077610 Br\n0.750000 0.194494 0.374927 Br\n0.750000 0.694494 0.125073 Br\n0.750000 0.925089 0.693645 Br\n0.250000 0.574910 0.193646 Br\n0.250000 0.420145 0.422390 Br\n0.020026 0.742148 0.385996 Br\n0.750000 0.079855 0.922390 Br\n0.250000 0.560522 0.973413 Br\n0.250000 0.074910 0.306354 Br\n0.020026 0.242148 0.114004 Br\n0.250000 0.076217 0.800336 Br\n0.979974 0.257852 0.614004 Br\n0.750000 0.425090 0.806354 Br\n0.750000 0.423783 0.300336 Br\n0.250000 0.805505 0.625073 Br\n0.979974 0.757852 0.885996 Br\n0.479974 0.742148 0.385996 Br\n",
"nsites": 32,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.780709399259073,
"density_atomic": 0.03085603418254584,
"volume": 1037.0742983588364,
"volume_molar": 19.516898135297343,
"formula_full": "P4 Br28",
"formula_reduced": "PBr7",
"formula_anonymous": "AB7",
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"spacegroup": 62
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{
"id": "jvasp-14319",
"created_at": "2022-09-04T14:37:07.063238Z",
"updated_at": "2022-09-04T14:37:07.063260Z",
"structure_string": "P4 Br20\n1.0\n5.630596 0.000000 0.000000\n-0.000000 8.139671 0.000000\n0.000000 0.000000 17.237741\nP Br\n4 20\ndirect\n0.037017 0.750000 0.638223 P\n0.037017 0.250000 0.861777 P\n0.962984 0.250000 0.361777 P\n0.962984 0.750000 0.138223 P\n0.789046 0.250000 0.959942 Br\n0.789046 0.750000 0.540058 Br\n0.610653 0.750000 0.908820 Br\n0.610653 0.250000 0.591180 Br\n0.389347 0.250000 0.091180 Br\n0.389347 0.750000 0.408820 Br\n0.732666 0.469856 0.370080 Br\n0.732666 0.530144 0.129920 Br\n0.267335 0.969856 0.629920 Br\n0.267335 0.530144 0.629920 Br\n0.210954 0.250000 0.459942 Br\n0.267335 0.469856 0.870080 Br\n0.732666 0.030144 0.370080 Br\n0.732666 0.969856 0.129920 Br\n0.834675 0.750000 0.749007 Br\n0.834675 0.250000 0.750993 Br\n0.165326 0.250000 0.250993 Br\n0.165326 0.750000 0.249007 Br\n0.267335 0.030144 0.870080 Br\n0.210954 0.750000 0.040058 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.6193816619908175,
"density_atomic": 0.03037873404568007,
"volume": 790.0263376318296,
"volume_molar": 19.823540872192346,
"formula_full": "P4 Br20",
"formula_reduced": "PBr5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4255460041666666,
"spacegroup": 57
},
{
"id": "jvasp-117845",
"created_at": "2022-09-04T14:38:29.133585Z",
"updated_at": "2022-09-04T14:38:29.133619Z",
"structure_string": "P1 Br5\n1.0\n6.468649 0.000000 0.000000\n0.000000 7.476774 0.000000\n0.000000 0.000000 8.064825\nP Br\n1 5\ndirect\n0.825357 0.000000 0.500000 P\n0.820655 0.000000 0.206058 Br\n0.652908 0.736138 0.500000 Br\n0.652908 0.263861 0.500000 Br\n0.171742 0.000000 0.500000 Br\n0.820655 0.000000 0.793942 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 1.8327075651553746,
"density_atomic": 0.015382554509252045,
"volume": 390.052250189734,
"volume_molar": 39.14915923995525,
"formula_full": "P1 Br5",
"formula_reduced": "PBr5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.4670876708333333,
"spacegroup": 25
},
{
"id": "jvasp-4279",
"created_at": "2022-09-04T14:37:14.558687Z",
"updated_at": "2022-09-04T14:37:14.558703Z",
"structure_string": "P4 Br12\n1.0\n6.470598 0.000000 0.000000\n0.000000 7.815455 0.000000\n0.000000 0.000000 10.070020\nP Br\n4 12\ndirect\n0.528710 0.030612 0.250000 P\n0.028710 0.469388 0.750000 P\n0.971290 0.530612 0.250000 P\n0.471290 0.969387 0.750000 P\n0.644266 0.192476 0.078836 Br\n0.144266 0.307524 0.921164 Br\n0.855734 0.692476 0.421164 Br\n0.355734 0.807523 0.578836 Br\n0.355734 0.807523 0.921164 Br\n0.855734 0.692476 0.078836 Br\n0.144266 0.307524 0.578836 Br\n0.644266 0.192476 0.421164 Br\n0.185426 0.091400 0.250000 Br\n0.685426 0.408599 0.750000 Br\n0.314574 0.591400 0.250000 Br\n0.814574 0.908599 0.750000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Br"
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"chemical_system": "Br-P",
"density": 3.5305753303056155,
"density_atomic": 0.031418899100029464,
"volume": 509.24763305869607,
"volume_molar": 19.167255799851855,
"formula_full": "P4 Br12",
"formula_reduced": "PBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59257945375,
"spacegroup": 62
},
{
"id": "jvasp-117849",
"created_at": "2022-09-04T14:38:53.121145Z",
"updated_at": "2022-09-04T14:38:53.121171Z",
"structure_string": "P1 Br3\n1.0\n5.927366 -1.501503 -1.210602\n1.489987 -6.039659 0.485205\n0.111300 0.659360 -3.986196\nP Br\n1 3\ndirect\n0.392915 -0.018510 0.153421 P\n0.060336 0.982619 -0.006104 Br\n0.723279 0.646580 0.682698 Br\n0.386284 0.317608 0.014488 Br\n",
"nsites": 4,
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"elements": [
"P",
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],
"chemical_system": "Br-P",
"density": 3.462781956513565,
"density_atomic": 0.03081559992877551,
"volume": 129.8043850921368,
"volume_molar": 19.54250695725234,
"formula_full": "P1 Br3",
"formula_reduced": "PBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59172195375,
"spacegroup": 160
},
{
"id": "jvasp-117847",
"created_at": "2022-09-04T14:38:53.722643Z",
"updated_at": "2022-09-04T14:38:53.722667Z",
"structure_string": "P1 Br3\n1.0\n6.647311 0.000000 0.000000\n-3.323656 5.756740 -0.000000\n0.000000 -0.000000 3.529070\nP Br\n1 3\ndirect\n0.000000 0.000000 0.000000 P\n0.350143 0.000000 0.000000 Br\n1.000000 0.350143 0.000000 Br\n0.649856 0.649857 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.328370192292937,
"density_atomic": 0.029619457866133476,
"volume": 135.04636101302688,
"volume_molar": 20.331704878655604,
"formula_full": "P1 Br3",
"formula_reduced": "PBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.68949445375,
"spacegroup": 189
},
{
"id": "jvasp-98891",
"created_at": "2022-09-04T14:35:53.439341Z",
"updated_at": "2022-09-04T14:35:53.439369Z",
"structure_string": "P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n",
"nsites": 40,
"nelements": 3,
"elements": [
"P",
"Br",
"N"
],
"chemical_system": "Br-N-P",
"density": 3.3283952356319064,
"density_atomic": 0.03915076938429375,
"volume": 1021.6912880401002,
"volume_molar": 15.38192187460797,
"formula_full": "P10 Br20 N10",
"formula_reduced": "PBr2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.91225174,
"spacegroup": 2
},
{
"id": "jvasp-117842",
"created_at": "2022-09-04T14:38:52.332279Z",
"updated_at": "2022-09-04T14:38:52.332310Z",
"structure_string": "P1 Br2\n1.0\n4.163317 0.000000 0.000000\n0.000000 3.413040 0.000000\n0.000000 0.000000 7.183704\nP Br\n1 2\ndirect\n0.351413 0.000000 0.000000 P\n0.024294 0.000000 0.750306 Br\n0.024294 0.000000 0.249694 Br\n",
"nsites": 3,
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"elements": [
"P",
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"chemical_system": "Br-P",
"density": 3.1035351305389876,
"density_atomic": 0.029389484435366934,
"volume": 102.07732655527083,
"volume_molar": 20.490800964010894,
"formula_full": "P1 Br2",
"formula_reduced": "PBr2",
"formula_anonymous": "AB2",
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"spacegroup": 25
},
{
"id": "jvasp-117840",
"created_at": "2022-09-04T14:38:52.973321Z",
"updated_at": "2022-09-04T14:38:52.973351Z",
"structure_string": "P1 Br2\n1.0\n8.262770 0.000000 -5.268526\n0.000000 2.795434 0.000000\n-5.146147 0.000000 6.781929\nP Br\n1 2\ndirect\n0.075733 0.000000 0.404819 P\n-0.074320 0.000000 -0.048344 Br\n0.225681 0.000000 -0.142110 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-P",
"density": 3.91800233386243,
"density_atomic": 0.037102228189949175,
"volume": 80.85767745918523,
"volume_molar": 16.231210506196422,
"formula_full": "P1 Br2",
"formula_reduced": "PBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.91577457,
"spacegroup": 65
},
{
"id": "jvasp-117838",
"created_at": "2022-09-04T14:38:29.021355Z",
"updated_at": "2022-09-04T14:38:29.021382Z",
"structure_string": "P1 Br2\n1.0\n3.979001 0.177526 -0.193960\n0.198039 -3.870869 0.515509\n-0.404648 2.519776 -5.905804\nP Br\n1 2\ndirect\n0.961521 0.932075 0.005395 P\n0.461510 0.386745 0.958284 Br\n0.962049 0.258581 0.408222 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-P",
"density": 3.6764025096772066,
"density_atomic": 0.03481435517616895,
"volume": 86.17135043344285,
"volume_molar": 17.297866726315995,
"formula_full": "P1 Br2",
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"energy_above_hull": 0.8338612366666667,
"spacegroup": 6
},
{
"id": "jvasp-117837",
"created_at": "2022-09-04T14:38:28.952807Z",
"updated_at": "2022-09-04T14:38:28.952837Z",
"structure_string": "P1 Br1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nP Br\n1 1\ndirect\n0.000000 0.000000 0.111393 P\n0.000000 0.000000 0.888607 Br\n",
"nsites": 2,
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"elements": [
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"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "P1 Br1",
"formula_reduced": "PBr",
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"energy_above_hull": 1.5193598025,
"spacegroup": 99
},
{
"id": "jvasp-117839",
"created_at": "2022-09-04T14:38:47.531572Z",
"updated_at": "2022-09-04T14:38:47.531598Z",
"structure_string": "P2 Br2\n1.0\n7.644966 -0.271926 -2.916699\n4.320168 -4.637121 -2.009370\n1.930390 -3.292828 -4.178526\nP Br\n2 2\ndirect\n0.668282 0.834594 -0.018549 P\n0.549189 0.454436 0.218073 P\n0.901584 0.052071 0.102869 Br\n0.315786 0.142604 0.190837 Br\n",
"nsites": 4,
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"elements": [
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"density": 3.3758941482802065,
"density_atomic": 0.03667121231907507,
"volume": 109.07738651223542,
"volume_molar": 16.42198438274018,
"formula_full": "P2 Br2",
"formula_reduced": "PBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.8840298025000002,
"spacegroup": 4
}
]
}