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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3827",
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"results": [
{
"id": "jvasp-22027",
"created_at": "2022-09-04T14:38:14.683727Z",
"updated_at": "2022-09-04T14:38:14.683748Z",
"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.117886 0.012960\n8.249468 0.000000 0.000000\n0.000000 -4.566525 -7.618615\nMg P O\n6 4 16\ndirect\n0.511048 0.857225 0.607609 Mg\n0.488950 0.357225 0.892390 Mg\n0.488951 0.142775 0.392390 Mg\n0.511049 0.642776 0.107610 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.160822 0.695293 0.697594 P\n0.839177 0.195293 0.802405 P\n0.160822 0.804708 0.197594 P\n0.839178 0.304707 0.302405 P\n0.814347 0.699103 0.622342 O\n0.236593 0.644841 0.556599 O\n0.763406 0.144841 0.943400 O\n0.763407 0.355159 0.443401 O\n0.236593 0.855159 0.056599 O\n0.185652 0.199103 0.877657 O\n0.315636 0.634987 0.259362 O\n0.694094 0.424809 0.145732 O\n0.684364 0.365013 0.740637 O\n0.315635 0.865013 0.759362 O\n0.305906 0.924810 0.354268 O\n0.814347 0.800897 0.122343 O\n0.694093 0.075191 0.645731 O\n0.305906 0.575191 0.854268 O\n0.684364 0.134987 0.240638 O\n0.185653 0.300897 0.377657 O\n",
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"formula_full": "Mg6 P4 O16",
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},
{
"id": "jvasp-57041",
"created_at": "2022-09-04T14:37:28.443842Z",
"updated_at": "2022-09-04T14:37:28.443863Z",
"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.918580 0.031073\n4.765563 0.000000 0.000000\n0.000000 -0.112217 -10.248971\nMg P O\n6 4 16\ndirect\n0.761567 0.513361 0.223156 Mg\n0.238433 0.013361 0.276844 Mg\n0.761567 0.986638 0.723156 Mg\n0.500000 0.000000 0.000000 Mg\n0.238432 0.486638 0.776844 Mg\n0.500000 0.500000 0.500000 Mg\n0.254703 0.575579 0.096414 P\n0.745297 0.075580 0.403587 P\n0.254703 0.924420 0.596414 P\n0.745297 0.424420 0.903587 P\n0.744292 0.188302 0.545222 O\n0.467482 0.769189 0.661455 O\n0.467482 0.730810 0.161455 O\n0.274092 0.245375 0.603587 O\n0.532517 0.269190 0.838546 O\n0.942593 0.192153 0.323664 O\n0.744292 0.311698 0.045222 O\n0.274092 0.254624 0.103587 O\n0.057407 0.692153 0.176336 O\n0.057406 0.807846 0.676336 O\n0.532518 0.230810 0.338546 O\n0.725907 0.754624 0.396413 O\n0.255708 0.688302 0.954778 O\n0.725907 0.745375 0.896413 O\n0.942593 0.307846 0.823664 O\n0.255708 0.811698 0.454778 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.0200407296059457,
"density_atomic": 0.08994692313160535,
"volume": 289.05935961765186,
"volume_molar": 6.695215967742152,
"formula_full": "Mg6 P4 O16",
"formula_reduced": "Mg3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9282173961538456,
"spacegroup": 14
},
{
"id": "jvasp-121222",
"created_at": "2022-09-04T14:38:53.295235Z",
"updated_at": "2022-09-04T14:38:53.295265Z",
"structure_string": "Mg1 Pb1 O3\n1.0\n4.203344 -0.000000 -0.000000\n0.000000 4.203344 -0.000000\n0.000000 0.000000 4.203344\nMg Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Pb\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"elements": [
"Mg",
"Pb",
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],
"chemical_system": "Mg-O-Pb",
"density": 6.2495835728935525,
"density_atomic": 0.06732637046794965,
"volume": 74.26510541482736,
"volume_molar": 8.944698367286572,
"formula_full": "Mg1 Pb1 O3",
"formula_reduced": "MgPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-30454",
"created_at": "2022-09-04T14:38:05.493422Z",
"updated_at": "2022-09-04T14:38:05.493431Z",
"structure_string": "Mg4 Pb2 O8\n1.0\n5.430465 -0.000012 -0.000278\n-0.000018 9.506627 0.000029\n-0.000164 0.000009 3.181258\nMg Pb O\n4 2 8\ndirect\n0.057566 0.323185 0.500019 Mg\n0.442430 0.823182 0.499996 Mg\n0.557586 0.176827 0.499983 Mg\n0.942415 0.676827 0.500011 Mg\n0.000023 0.000001 0.000009 Pb\n0.499978 0.500004 -0.000011 Pb\n0.152558 0.787069 0.000013 O\n0.270876 0.034266 0.500046 O\n0.229126 0.534266 0.499950 O\n0.347443 0.287073 -0.000002 O\n0.652548 0.712925 0.000006 O\n0.770819 0.465726 0.500031 O\n0.729180 0.965723 0.499970 O\n0.847447 0.212929 -0.000018 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Mg-O-Pb",
"density": 6.467039437439655,
"density_atomic": 0.08524436337452289,
"volume": 164.23373283334533,
"volume_molar": 7.064561833304565,
"formula_full": "Mg4 Pb2 O8",
"formula_reduced": "Mg2PbO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 55
},
{
"id": "jvasp-38614",
"created_at": "2022-09-04T14:35:55.745083Z",
"updated_at": "2022-09-04T14:35:55.745107Z",
"structure_string": "Mg1 Pb1 O3\n1.0\n4.007462 0.000000 0.000000\n0.000000 4.007462 0.000000\n-0.000000 0.000000 4.007462\nMg Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\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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"elements": [
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],
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"density": 7.211533795798918,
"density_atomic": 0.07768939967200066,
"volume": 64.35884459282295,
"volume_molar": 7.751560425778894,
"formula_full": "Mg1 Pb1 O3",
"formula_reduced": "MgPbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-121220",
"created_at": "2022-09-04T14:38:55.102407Z",
"updated_at": "2022-09-04T14:38:55.102422Z",
"structure_string": "Mg1 Pb1 O1\n1.0\n4.623069 0.000000 0.000000\n-2.311534 4.003695 -0.000000\n-0.000000 0.000000 3.300247\nMg Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333334 0.000000 Pb\n0.333334 0.666668 0.000000 O\n",
"nsites": 3,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "Mg-O-Pb",
"density": 6.728127539707618,
"density_atomic": 0.04911152825083573,
"volume": 61.085454003336764,
"volume_molar": 12.262173413219983,
"formula_full": "Mg1 Pb1 O1",
"formula_reduced": "MgPbO",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-121221",
"created_at": "2022-09-04T14:38:55.083812Z",
"updated_at": "2022-09-04T14:38:55.083839Z",
"structure_string": "Mg1 Pb1 O1\n1.0\n3.337593 0.000000 -0.000000\n0.000000 3.337593 -0.000000\n-0.000000 -0.000000 7.261461\nMg Pb O\n1 1 1\ndirect\n0.000000 0.000000 0.554479 Mg\n0.000000 0.000000 0.086789 Pb\n0.000000 0.000000 0.804578 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.080907172559422,
"density_atomic": 0.03708775059217587,
"volume": 80.88924111328791,
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"formula_full": "Mg1 Pb1 O1",
"formula_reduced": "MgPbO",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-121223",
"created_at": "2022-09-04T14:38:55.124539Z",
"updated_at": "2022-09-04T14:38:55.124564Z",
"structure_string": "Mg1 Pb1 O2\n1.0\n3.125952 0.000000 0.000000\n0.000000 3.125952 0.000000\n0.000000 0.000000 6.062166\nMg Pb O\n1 1 2\ndirect\n0.499999 0.499999 0.560489 Mg\n0.000000 0.000000 0.049363 Pb\n0.000000 0.000000 0.509292 O\n0.499999 0.499999 0.890858 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.386582377408193,
"density_atomic": 0.0675254608509782,
"volume": 59.23691522561529,
"volume_molar": 8.91832604192106,
"formula_full": "Mg1 Pb1 O2",
"formula_reduced": "MgPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-101629",
"created_at": "2022-09-04T14:36:46.231427Z",
"updated_at": "2022-09-04T14:36:46.231451Z",
"structure_string": "Mg1 Re1 Pb2 O6\n1.0\n4.897970 -0.000000 2.827844\n1.632657 4.617851 2.827844\n-0.000000 -0.000000 5.655689\nMg Re Pb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.749999 Pb\n0.758326 0.241674 0.241673 O\n0.241675 0.758326 0.758325 O\n0.241675 0.758326 0.241673 O\n0.758326 0.241674 0.758325 O\n0.241674 0.241674 0.758326 O\n0.758326 0.758326 0.241673 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 9.358098815546116,
"density_atomic": 0.07817329959351749,
"volume": 127.92091483917929,
"volume_molar": 7.703577553095105,
"formula_full": "Mg1 Re1 Pb2 O6",
"formula_reduced": "MgRe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.337478969,
"spacegroup": 225
},
{
"id": "jvasp-107049",
"created_at": "2022-09-04T14:37:00.803871Z",
"updated_at": "2022-09-04T14:37:00.803888Z",
"structure_string": "Mg1 Te1 Pb2 O6\n1.0\n4.949490 0.002399 2.847793\n1.652982 4.622172 2.850825\n0.007658 0.006780 5.713397\nMg Te Pb O\n1 1 2 6\ndirect\n0.994942 0.000183 0.002537 Mg\n0.494999 0.499989 0.502603 Te\n0.744129 0.753906 0.751182 Pb\n0.245548 0.247121 0.253667 Pb\n0.213814 0.744175 0.740389 O\n0.295279 0.745107 0.220340 O\n0.734671 0.742312 0.302760 O\n0.776260 0.255415 0.265162 O\n0.694699 0.254498 0.784945 O\n0.255658 0.257292 0.702417 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 8.426090437846408,
"density_atomic": 0.0766163301039932,
"volume": 130.5204776374274,
"volume_molar": 7.860126883950199,
"formula_full": "Mg1 Te1 Pb2 O6",
"formula_reduced": "MgTe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6352869456666663,
"spacegroup": 148
},
{
"id": "jvasp-12374",
"created_at": "2022-09-04T14:38:11.857639Z",
"updated_at": "2022-09-04T14:38:11.857661Z",
"structure_string": "Mg1 Te1 Pb2 O6\n1.0\n4.924820 0.000000 2.843346\n1.641607 4.643165 2.843346\n-0.000000 -0.000000 5.686692\nMg Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Te\n0.750001 0.749999 0.750001 Pb\n0.250000 0.250000 0.250000 Pb\n0.741724 0.258276 0.258277 O\n0.741724 0.741723 0.258277 O\n0.258277 0.258276 0.741724 O\n0.741724 0.258276 0.741724 O\n0.258277 0.741723 0.258277 O\n0.258277 0.741723 0.741724 O\n",
"nsites": 10,
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],
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"density_atomic": 0.07690167764614271,
"volume": 130.03617484151968,
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"formula_full": "Mg1 Te1 Pb2 O6",
"formula_reduced": "MgTe(PbO3)2",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-38268",
"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.06274539193858428,
"volume": 446.24790976533603,
"volume_molar": 9.597741880223687,
"formula_full": "Rb4 Mg4 P4 O16",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
}
]
}