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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1506",
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"results": [
{
"id": "jvasp-109928",
"created_at": "2022-09-04T14:38:36.622347Z",
"updated_at": "2022-09-04T14:38:36.622374Z",
"structure_string": "Bi3 Pb1\n1.0\n4.884233 0.000000 2.819912\n1.628078 4.604898 2.819913\n-0.000000 0.000000 5.639826\nBi Pb\n3 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:37:00.728768Z",
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"structure_string": "Bi1 Pb1\n1.0\n3.524600 0.000000 0.000000\n-1.762299 3.052393 0.000000\n0.000000 -0.000000 5.896590\nBi Pb\n1 1\ndirect\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-101228",
"created_at": "2022-09-04T14:36:40.118157Z",
"updated_at": "2022-09-04T14:36:40.118171Z",
"structure_string": "Bi1 Pd6 Pb1\n1.0\n4.125769 0.000000 0.000000\n0.000000 4.125769 0.000000\n-0.000000 -0.000000 8.231480\nBi Pd Pb\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.251745 Pd\n0.500000 0.000000 0.748255 Pd\n-0.000000 0.500000 0.251745 Pd\n-0.000000 0.500000 0.748255 Pd\n0.000000 0.000000 0.500000 Pb\n",
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"density_atomic": 0.05709554764574736,
"volume": 140.11600430976623,
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"formula_full": "Bi1 Pd6 Pb1",
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"spacegroup": 123
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{
"id": "jvasp-51654",
"created_at": "2022-09-04T14:38:17.157679Z",
"updated_at": "2022-09-04T14:38:17.157706Z",
"structure_string": "Bi8 Pb4 S16\n1.0\n4.112157 0.000000 0.000000\n0.000000 11.841581 0.000000\n0.000000 0.000000 14.671629\nBi Pb S\n8 4 16\ndirect\n0.250000 0.397917 0.402018 Bi\n0.750001 0.602083 0.597982 Bi\n0.750001 0.066989 0.391531 Bi\n0.250000 0.897917 0.097982 Bi\n0.750001 0.102083 0.902018 Bi\n0.250000 0.433011 0.891532 Bi\n0.250000 0.933011 0.608469 Bi\n0.750001 0.566989 0.108469 Bi\n0.750001 0.747433 0.847531 Pb\n0.250000 0.752567 0.347531 Pb\n0.250000 0.252567 0.152469 Pb\n0.750001 0.247433 0.652469 Pb\n0.750001 0.262992 0.299933 S\n0.750001 0.517015 0.786428 S\n0.250000 0.663642 0.987240 S\n0.750001 0.017015 0.713572 S\n0.250000 0.482985 0.213572 S\n0.250000 0.982985 0.286428 S\n0.250000 0.163642 0.512760 S\n0.250000 0.237008 0.799933 S\n0.750001 0.762992 0.200067 S\n0.750001 0.555155 0.408889 S\n0.750001 0.336358 0.012760 S\n0.250000 0.444845 0.591111 S\n0.250000 0.737008 0.700067 S\n0.750001 0.836358 0.487240 S\n0.250000 0.944845 0.908889 S\n0.750001 0.055155 0.091111 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Pb",
"S"
],
"chemical_system": "Bi-Pb-S",
"density": 7.00469097922594,
"density_atomic": 0.03919226088560992,
"volume": 714.4267609802695,
"volume_molar": 15.365637561907352,
"formula_full": "Bi8 Pb4 S16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-29647",
"created_at": "2022-09-04T14:38:32.778989Z",
"updated_at": "2022-09-04T14:38:32.779005Z",
"structure_string": "Bi2 Pb2 Se5\n1.0\n4.269297 -0.000000 0.000000\n-2.134649 3.697320 0.000000\n-0.000000 -0.000000 16.879315\nBi Pb Se\n2 2 5\ndirect\n0.000000 0.000000 0.668125 Bi\n0.000000 0.000000 0.331875 Bi\n0.333333 0.666667 0.109549 Pb\n0.666667 0.333333 0.890450 Pb\n0.666667 0.333333 0.578066 Se\n0.333333 0.666667 0.781943 Se\n0.666667 0.333333 0.218056 Se\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.421934 Se\n",
"nsites": 9,
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"elements": [
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"Pb",
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],
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"density": 7.648078644420954,
"density_atomic": 0.033778805141553264,
"volume": 266.4392645709241,
"volume_molar": 17.82816394707762,
"formula_full": "Bi2 Pb2 Se5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 164
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{
"id": "jvasp-29967",
"created_at": "2022-09-04T14:37:58.209823Z",
"updated_at": "2022-09-04T14:37:58.209849Z",
"structure_string": "Bi2 Pb1 Se4\n1.0\n4.186203 -0.001530 12.864167\n2.039172 3.655965 12.864167\n-0.002607 -0.001530 13.528159\nBi Pb Se\n2 1 4\ndirect\n0.428204 0.428204 0.428206 Bi\n0.571794 0.571794 0.571797 Bi\n0.000000 0.000000 0.000000 Pb\n0.133394 0.133394 0.133394 Se\n0.286852 0.286852 0.286854 Se\n0.713146 0.713146 0.713149 Se\n0.866605 0.866605 0.866609 Se\n",
"nsites": 7,
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"elements": [
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"volume": 207.25034602262303,
"volume_molar": 17.82986794724203,
"formula_full": "Bi2 Pb1 Se4",
"formula_reduced": "Bi2PbSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-99918",
"created_at": "2022-09-04T14:36:42.402306Z",
"updated_at": "2022-09-04T14:36:42.402325Z",
"structure_string": "Tl1 Bi1 Pb1 S3\n1.0\n5.462767 -0.010751 -5.196325\n-0.502743 3.945104 -6.405243\n0.017835 0.010751 7.539450\nTl Bi Pb S\n1 1 1 3\ndirect\n0.007114 0.007114 -0.000000 Tl\n0.337047 0.337047 -0.000000 Bi\n0.668077 0.668075 -0.000000 Pb\n0.482074 0.982072 0.500000 S\n0.188313 0.688311 0.500000 S\n0.817379 0.317378 0.500000 S\n",
"nsites": 6,
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"elements": [
"Tl",
"Bi",
"Pb",
"S"
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"density": 7.292282749942522,
"density_atomic": 0.03676145391500645,
"volume": 163.21443689012338,
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"formula_full": "Tl1 Bi1 Pb1 S3",
"formula_reduced": "TlBiPbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.06050462,
"spacegroup": 44
},
{
"id": "jvasp-117745",
"created_at": "2022-09-04T14:38:49.948728Z",
"updated_at": "2022-09-04T14:38:49.948754Z",
"structure_string": "Bi1 Te1 Pb1\n1.0\n6.235126 1.693056 0.000000\n1.565066 6.108790 0.000000\n0.000000 0.000000 3.254838\nBi Te Pb\n1 1 1\ndirect\n0.005300 -0.108031 0.000000 Bi\n-0.108520 0.444644 0.000000 Te\n0.454968 -0.003406 0.000000 Pb\n",
"nsites": 3,
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"volume": 115.34928115475414,
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"formula_full": "Bi1 Te1 Pb1",
"formula_reduced": "BiTePb",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-29975",
"created_at": "2022-09-04T14:38:34.227645Z",
"updated_at": "2022-09-04T14:38:34.227661Z",
"structure_string": "Bi2 Te4 Pb1\n1.0\n4.471236 0.018216 13.704688\n2.194218 3.895856 13.704688\n0.031021 0.018216 14.415598\nBi Te Pb\n2 4 1\ndirect\n0.427300 0.427301 0.427299 Bi\n0.572700 0.572702 0.572699 Bi\n0.133871 0.133872 0.133871 Te\n0.287260 0.287261 0.287260 Te\n0.712740 0.712742 0.712738 Te\n0.866128 0.866131 0.866127 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 7,
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"density": 7.593712688021434,
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"volume": 248.31635701387847,
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"formula_full": "Bi2 Te4 Pb1",
"formula_reduced": "Bi2Te4Pb",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-29571",
"created_at": "2022-09-04T14:37:31.617288Z",
"updated_at": "2022-09-04T14:37:31.617313Z",
"structure_string": "Bi2 Te5 Pb2\n1.0\n4.507033 0.000000 -0.000000\n-2.253517 3.903205 0.000000\n-0.000000 0.000000 18.440831\nBi Te Pb\n2 5 2\ndirect\n0.333333 0.666668 0.108826 Bi\n0.666666 0.333333 0.891174 Bi\n0.666666 0.333333 0.574922 Te\n0.666666 0.333333 0.201472 Te\n0.333333 0.666668 0.798527 Te\n0.000000 0.000000 0.000000 Te\n0.333333 0.666668 0.425078 Te\n0.000000 -0.000000 0.338174 Pb\n0.000000 -0.000000 0.661826 Pb\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.027742776444087007,
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"formula_full": "Bi2 Te5 Pb2",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 164
},
{
"id": "jvasp-12475",
"created_at": "2022-09-04T14:38:12.909421Z",
"updated_at": "2022-09-04T14:38:12.909441Z",
"structure_string": "Bi4 Te7 Pb1\n1.0\n2.238824 -3.877755 0.000000\n2.238824 3.877755 -0.000000\n-0.000000 0.000000 24.574039\nBi Te Pb\n4 7 1\ndirect\n0.666666 0.333332 0.416931 Bi\n0.333332 0.666666 0.836608 Bi\n0.666666 0.333332 0.163392 Bi\n0.333332 0.666666 0.583069 Bi\n0.000000 0.000000 0.500000 Te\n0.333332 0.666666 0.346995 Te\n0.666666 0.333332 0.653005 Te\n0.000000 0.000000 0.232842 Te\n0.000000 0.000000 0.767158 Te\n0.666666 0.333332 0.919912 Te\n0.333332 0.666666 0.080088 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 12,
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"volume": 426.68449263363266,
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"formula_full": "Bi4 Te7 Pb1",
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"formula_anonymous": "AB4C7",
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{
"id": "jvasp-110279",
"created_at": "2022-09-04T14:38:16.335123Z",
"updated_at": "2022-09-04T14:38:16.335151Z",
"structure_string": "Bi2 Te4 Pb1\n1.0\n4.449321 0.007022 13.827604\n2.175713 3.881079 13.827604\n0.011965 0.007022 14.525803\nBi Te Pb\n2 4 1\ndirect\n0.428648 0.428648 0.428648 Bi\n0.000507 0.000507 0.000507 Bi\n0.862946 0.862945 0.862945 Te\n0.134681 0.134681 0.134681 Te\n0.712359 0.712358 0.712358 Te\n0.292758 0.292757 0.292757 Te\n0.568102 0.568101 0.568102 Pb\n",
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"spacegroup": 160
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}