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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4007",
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{
"id": "jvasp-35262",
"created_at": "2022-09-04T14:37:56.414177Z",
"updated_at": "2022-09-04T14:37:56.414209Z",
"structure_string": "Na4 Zn6 Se8\n1.0\n2.879108 -5.537092 -0.000000\n5.923907 -0.436827 6.770859\n-3.044802 -5.100263 6.770859\nNa Zn Se\n4 6 8\ndirect\n0.741121 0.623369 0.376631 Na\n0.258879 0.376632 0.623368 Na\n0.758879 0.123369 0.876631 Na\n0.241121 0.876632 0.123368 Na\n0.750000 0.461272 0.038728 Zn\n0.250000 0.538729 0.961271 Zn\n0.750000 0.038729 0.461271 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n0.250000 0.961272 0.538728 Zn\n0.094599 0.766326 0.506116 Se\n0.594598 0.006116 0.266325 Se\n0.132960 0.266325 0.006116 Se\n0.905402 0.233675 0.493883 Se\n0.367040 0.493884 0.233675 Se\n0.405402 0.993884 0.733675 Se\n0.867040 0.733676 0.993883 Se\n0.632960 0.506117 0.766325 Se\n",
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{
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"updated_at": "2022-09-04T14:37:38.529790Z",
"structure_string": "Sm1 Ag3\n1.0\n-0.000000 3.487577 3.487577\n3.487577 0.000000 3.487577\n3.487577 3.487577 0.000000\nSm Ag\n1 3\ndirect\n0.750001 0.750001 0.750001 Sm\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.249999 0.249999 0.249999 Ag\n",
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{
"id": "jvasp-111272",
"created_at": "2022-09-04T14:38:49.447921Z",
"updated_at": "2022-09-04T14:38:49.447957Z",
"structure_string": "In1 Pb1\n1.0\n3.423363 -0.040897 0.705650\n1.659815 2.994345 0.705650\n0.525417 0.305280 5.941522\nIn Pb\n1 1\ndirect\n0.749884 0.749881 0.250020 In\n0.250110 0.250108 0.749979 Pb\n",
"nsites": 2,
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"elements": [
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"density": 8.941414954250261,
"density_atomic": 0.033443136387824424,
"volume": 59.803003426680284,
"volume_molar": 18.007105225311552,
"formula_full": "In1 Pb1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.1187919399999999,
"spacegroup": 166
},
{
"id": "jvasp-96729",
"created_at": "2022-09-04T14:35:52.358025Z",
"updated_at": "2022-09-04T14:35:52.358042Z",
"structure_string": "Ba4 Zn8 As8\n1.0\n4.288795 0.000000 0.000000\n-0.000000 10.085852 0.000000\n0.000000 0.000000 11.010424\nBa Zn As\n4 8 8\ndirect\n0.750001 0.753203 0.174493 Ba\n0.750001 0.253203 0.325507 Ba\n0.250000 0.746797 0.674493 Ba\n0.250000 0.246797 0.825507 Ba\n0.250000 0.550693 0.381538 Zn\n0.750001 0.449307 0.618462 Zn\n0.750001 0.401011 0.050220 Zn\n0.750001 0.949307 0.881537 Zn\n0.750001 0.901011 0.449780 Zn\n0.250000 0.098989 0.550220 Zn\n0.250000 0.598989 0.949780 Zn\n0.250000 0.050693 0.118462 Zn\n0.750001 0.649520 0.461334 As\n0.250000 0.850480 0.961334 As\n0.750001 0.149520 0.038666 As\n0.750001 0.522011 0.839610 As\n0.250000 0.477989 0.160389 As\n0.750001 0.022011 0.660389 As\n0.250000 0.977989 0.339610 As\n0.250000 0.350480 0.538665 As\n",
"nsites": 20,
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"elements": [
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"Zn",
"As"
],
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"density": 5.829364179331779,
"density_atomic": 0.041993113252203625,
"volume": 476.2685700363138,
"volume_molar": 14.340781841613,
"formula_full": "Ba4 Zn8 As8",
"formula_reduced": "Ba(ZnAs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 62
},
{
"id": "jvasp-14789",
"created_at": "2022-09-04T14:35:46.941760Z",
"updated_at": "2022-09-04T14:35:46.941785Z",
"structure_string": "Nd1 Te1\n1.0\n3.894154 0.000000 2.248290\n1.298051 3.671443 2.248290\n0.000000 0.000000 4.496581\nNd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.500000 0.500000 Te\n",
"nsites": 2,
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"volume": 64.28835799376421,
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"formula_full": "Nd1 Te1",
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"spacegroup": 225
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{
"id": "jvasp-22656",
"created_at": "2022-09-04T14:36:51.717609Z",
"updated_at": "2022-09-04T14:36:51.717632Z",
"structure_string": "Hg2 I2 Br2\n1.0\n4.329642 -0.138917 0.000000\n-1.800490 3.939965 -0.000000\n-0.000000 0.000000 13.039319\nHg I Br\n2 2 2\ndirect\n0.844031 0.155968 0.001194 Hg\n0.155968 0.844033 0.501194 Hg\n0.892662 0.107336 0.641693 I\n0.107337 0.892664 0.141693 I\n0.593358 0.406641 0.869113 Br\n0.406641 0.593359 0.369113 Br\n",
"nsites": 6,
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"elements": [
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"I",
"Br"
],
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"density_atomic": 0.027375804053669926,
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"formula_full": "Hg2 I2 Br2",
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"formula_anonymous": "ABC",
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"spacegroup": 36
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{
"id": "jvasp-54888",
"created_at": "2022-09-04T14:37:17.659898Z",
"updated_at": "2022-09-04T14:37:17.659928Z",
"structure_string": "In4 Bi2\n1.0\n5.540091 0.000000 0.000000\n-2.770046 4.797861 -0.000000\n-0.000000 0.000000 6.752440\nIn Bi\n4 2\ndirect\n0.333332 0.666667 0.250000 In\n0.666667 0.333333 0.250000 In\n0.333332 0.666667 0.750000 In\n0.666667 0.333333 0.750000 In\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n",
"nsites": 6,
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"elements": [
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"density": 8.115936962396361,
"density_atomic": 0.03342919790759852,
"volume": 179.48381581228992,
"volume_molar": 18.014613382725397,
"formula_full": "In4 Bi2",
"formula_reduced": "In2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1186638111111111,
"spacegroup": 191
},
{
"id": "jvasp-104683",
"created_at": "2022-09-04T14:36:44.373571Z",
"updated_at": "2022-09-04T14:36:44.373600Z",
"structure_string": "Th1 Pb1 I6\n1.0\n7.338751 0.107199 0.000000\n-6.067850 4.129159 0.000000\n-0.000000 -0.000000 10.058991\nTh Pb I\n1 1 6\ndirect\n0.237195 0.762806 0.500000 Th\n0.764285 0.235715 -0.000000 Pb\n0.143330 0.856671 0.797754 I\n0.853632 0.146369 0.677043 I\n0.143330 0.856671 0.202246 I\n0.853632 0.146369 0.322957 I\n0.427019 0.572982 -0.000000 I\n0.575479 0.424521 0.500000 I\n",
"nsites": 8,
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"elements": [
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"density": 6.403376040038904,
"density_atomic": 0.025693785173862595,
"volume": 311.35934023991626,
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"formula_full": "Th1 Pb1 I6",
"formula_reduced": "ThPbI6",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-71410",
"created_at": "2022-09-04T14:36:04.770854Z",
"updated_at": "2022-09-04T14:36:04.770865Z",
"structure_string": "Be1 Tl2 Cu1\n1.0\n3.112993 0.000000 -0.000000\n0.000000 3.112993 0.000000\n-0.000000 0.000000 8.617355\nBe Tl Cu\n1 2 1\ndirect\n0.000000 0.000000 0.594935 Be\n0.000000 0.000000 0.936233 Tl\n0.500000 0.500000 0.311267 Tl\n0.500000 0.500000 0.657568 Cu\n",
"nsites": 4,
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"density": 9.570994079064963,
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"volume": 83.50842113485163,
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"formula_full": "Be1 Tl2 Cu1",
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"spacegroup": 99
},
{
"id": "jvasp-79375",
"created_at": "2022-09-04T14:36:41.227517Z",
"updated_at": "2022-09-04T14:36:41.227536Z",
"structure_string": "Tm2 Zn1 Ag1\n1.0\n0.000000 3.534702 3.534702\n3.534702 -0.000000 3.534702\n3.534702 3.534702 -0.000000\nTm Zn Ag\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Tm\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ag\n",
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{
"id": "jvasp-80489",
"created_at": "2022-09-04T14:37:17.933936Z",
"updated_at": "2022-09-04T14:37:17.933946Z",
"structure_string": "Sr1 Mg3\n1.0\n4.943900 0.000000 0.000000\n0.000000 4.943900 0.000000\n0.000000 0.000000 4.943900\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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{
"id": "jvasp-68088",
"created_at": "2022-09-04T14:36:17.008172Z",
"updated_at": "2022-09-04T14:36:17.008193Z",
"structure_string": "Be1 Zn2 Se1\n1.0\n-2.000107 2.000107 4.009983\n2.000107 -2.000107 4.009983\n2.000107 2.000107 -4.009983\nBe Zn Se\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750001 0.500001 Zn\n0.750001 0.250000 0.500001 Se\n",
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