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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=415",
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"results": [
{
"id": "jvasp-24258",
"created_at": "2022-09-04T14:37:47.649659Z",
"updated_at": "2022-09-04T14:37:47.649671Z",
"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
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"S",
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],
"chemical_system": "O-Pb-S-Si-Zn",
"density": 6.047394290140247,
"density_atomic": 0.0691872778597164,
"volume": 722.6762137018834,
"volume_molar": 8.704115765633166,
"formula_full": "Zn4 Si6 Pb8 S2 O30",
"formula_reduced": "Zn2Si3Pb4SO15",
"formula_anonymous": "AB2C3D4E15",
"energy_above_hull": 2.2334056952,
"spacegroup": 4
},
{
"id": "jvasp-55531",
"created_at": "2022-09-04T14:37:08.645425Z",
"updated_at": "2022-09-04T14:37:08.645445Z",
"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Pb-Sr",
"density": 7.483324831936879,
"density_atomic": 0.06572818407292984,
"volume": 304.2834711180923,
"volume_molar": 9.162189470072732,
"formula_full": "Sr4 Pb4 O12",
"formula_reduced": "SrPbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-12348",
"created_at": "2022-09-04T14:38:14.382718Z",
"updated_at": "2022-09-04T14:38:14.382742Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.549334 0.000000 0.000000\n0.000000 6.214802 0.000000\n0.000000 0.000000 10.161647\nSr Pb O\n4 2 8\ndirect\n0.499999 0.424387 0.818959 Sr\n0.499999 0.575613 0.181041 Sr\n0.499999 0.924387 0.681041 Sr\n0.499999 0.075613 0.318959 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.133683 0.804805 O\n0.000000 0.866317 0.195195 O\n0.000000 0.633682 0.695196 O\n0.000000 0.366317 0.304805 O\n0.499999 0.272774 0.551461 O\n0.499999 0.727226 0.448540 O\n0.499999 0.227226 0.051461 O\n0.499999 0.772774 0.948540 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "O-Pb-Sr",
"density": 6.614569555173185,
"density_atomic": 0.06245824334527483,
"volume": 224.14975590342382,
"volume_molar": 9.641867009786138,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 55
},
{
"id": "jvasp-116403",
"created_at": "2022-09-04T14:38:49.240778Z",
"updated_at": "2022-09-04T14:38:49.240813Z",
"structure_string": "Sr1 Pb1 O3\n1.0\n4.272256 -0.000000 -0.000000\n-0.000000 4.272256 -0.000000\n0.000000 0.000000 4.272256\nSr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"density": 7.300307650685901,
"density_atomic": 0.06412069178201193,
"volume": 77.97794847563813,
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"formula_full": "Sr1 Pb1 O3",
"formula_reduced": "SrPbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-116402",
"created_at": "2022-09-04T14:38:49.209494Z",
"updated_at": "2022-09-04T14:38:49.209510Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.681785 1.514466 0.000000\n1.295091 7.155024 0.000000\n0.000000 0.000000 3.749611\nSr Pb O\n1 1 1\ndirect\n0.006484 -0.116536 0.000000 Sr\n-0.029179 0.420378 0.000000 Pb\n0.327539 0.065013 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.645516165177633,
"density_atomic": 0.03281464382979711,
"volume": 91.42259826315319,
"volume_molar": 18.351991846188003,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 25
},
{
"id": "jvasp-17560",
"created_at": "2022-09-04T14:38:28.561722Z",
"updated_at": "2022-09-04T14:38:28.561742Z",
"structure_string": "Sr3 Pb1 O1\n1.0\n5.160557 -0.000000 -0.000000\n0.000000 5.160557 -0.000000\n0.000000 0.000000 5.160557\nSr Pb O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.036381471968714586,
"volume": 137.43259218042732,
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"formula_full": "Sr3 Pb1 O1",
"formula_reduced": "Sr3PbO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-116400",
"created_at": "2022-09-04T14:38:48.117062Z",
"updated_at": "2022-09-04T14:38:48.117079Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n3.789750 -0.000000 0.000000\n0.000000 3.789750 0.000000\n0.000000 0.000000 7.543884\nSr Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.011593 Sr\n0.000000 0.000000 0.567509 Pb\n0.000000 0.000000 0.294684 O\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "O-Pb-Sr",
"density": 4.763663657808955,
"density_atomic": 0.027688863459490405,
"volume": 108.34680897571276,
"volume_molar": 21.749324484952457,
"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-116399",
"created_at": "2022-09-04T14:38:48.091284Z",
"updated_at": "2022-09-04T14:38:48.091304Z",
"structure_string": "Sr1 Pb1 O1\n1.0\n5.090237 0.000000 0.000000\n-2.545119 4.408275 -0.000000\n-0.000000 0.000000 3.681930\nSr Pb O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666666 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.247050332918617,
"density_atomic": 0.036311069823159355,
"volume": 82.61943298863056,
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"formula_full": "Sr1 Pb1 O1",
"formula_reduced": "SrPbO",
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},
{
"id": "jvasp-37338",
"created_at": "2022-09-04T14:38:01.163727Z",
"updated_at": "2022-09-04T14:38:01.163755Z",
"structure_string": "Sn1 Pb1 O3\n1.0\n4.112721 -0.000000 -0.000000\n-0.000000 4.112721 -0.000000\n0.000000 0.000000 4.112721\nSn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"formula_full": "Sn1 Pb1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-89103",
"created_at": "2022-09-04T14:36:14.396330Z",
"updated_at": "2022-09-04T14:36:14.396358Z",
"structure_string": "Sn4 Pb8 O16\n1.0\n6.442159 0.000000 0.000000\n0.000000 8.806419 0.000000\n0.000000 -0.000000 8.851024\nSn Pb O\n4 8 16\ndirect\n0.750053 0.000000 0.500000 Sn\n0.249947 0.500000 0.000000 Sn\n0.249947 0.000000 0.500000 Sn\n0.750053 0.500000 0.000000 Sn\n0.500000 0.359550 0.339548 Pb\n0.500000 0.859550 0.160452 Pb\n0.500000 0.140450 0.839548 Pb\n0.000000 0.840814 0.857896 Pb\n0.000000 0.159187 0.142103 Pb\n0.000000 0.340814 0.642103 Pb\n0.000000 0.659187 0.357897 Pb\n0.500000 0.640450 0.660452 Pb\n0.249978 0.666262 0.833891 O\n0.249978 0.333738 0.166108 O\n0.500000 0.096119 0.375031 O\n0.249978 0.166262 0.666108 O\n0.249978 0.833738 0.333892 O\n0.750022 0.666262 0.833891 O\n0.750022 0.333738 0.166108 O\n0.000000 0.374188 0.904486 O\n0.000000 0.625812 0.095514 O\n0.000000 0.874188 0.595513 O\n0.000000 0.125812 0.404486 O\n0.500000 0.403881 0.875031 O\n0.500000 0.596119 0.124969 O\n0.500000 0.903881 0.624968 O\n0.750022 0.833738 0.333892 O\n0.750022 0.166262 0.666108 O\n",
"nsites": 28,
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"volume": 502.13940398264856,
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"formula_full": "Sn4 Pb8 O16",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-116398",
"created_at": "2022-09-04T14:38:31.116187Z",
"updated_at": "2022-09-04T14:38:31.116220Z",
"structure_string": "Sn1 Pb1 O2\n1.0\n3.452078 0.000000 0.000000\n0.000000 3.452078 0.000000\n0.000000 -0.000000 6.035748\nSn Pb O\n1 1 2\ndirect\n0.500001 0.500001 0.529105 Sn\n0.000000 0.000000 -0.008837 Pb\n0.000000 0.000000 0.610660 O\n0.500001 0.500001 0.879073 O\n",
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"volume": 71.92705839484047,
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"formula_full": "Sn1 Pb1 O2",
"formula_reduced": "SnPbO2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-37207",
"created_at": "2022-09-04T14:38:06.058829Z",
"updated_at": "2022-09-04T14:38:06.058842Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.739414 0.000000 0.000000\n0.000000 3.739414 0.000000\n-0.000000 -0.000000 3.739414\nSi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Pb\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"elements": [
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],
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"volume": 52.289037651901886,
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"formula_full": "Si1 Pb1 O3",
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"formula_anonymous": "ABC3",
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}
]
}