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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4081",
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"results": [
{
"id": "jvasp-1723",
"created_at": "2022-09-04T14:36:08.220284Z",
"updated_at": "2022-09-04T14:36:08.220297Z",
"structure_string": "Rb1 Er1 Se2\n1.0\n4.041544 0.002107 7.213391\n1.884687 3.575197 7.213391\n0.003490 0.002107 8.268438\nRb Er Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.499999 Er\n0.232025 0.232026 0.232025 Se\n0.767973 0.767977 0.767973 Se\n",
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{
"id": "jvasp-107453",
"created_at": "2022-09-04T14:36:52.594618Z",
"updated_at": "2022-09-04T14:36:52.594636Z",
"structure_string": "La2 Cd1 Hg1\n1.0\n4.785649 -0.000000 2.762996\n1.595216 4.511953 2.762996\n-0.000000 -0.000000 5.525991\nLa Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750001 0.750000 0.750001 La\n0.500001 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "La2 Cd1 Hg1",
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{
"id": "jvasp-121189",
"created_at": "2022-09-04T14:38:54.686130Z",
"updated_at": "2022-09-04T14:38:54.686155Z",
"structure_string": "Li1 Sb1 Te1\n1.0\n3.134214 -0.000000 0.000000\n0.000000 3.134214 0.000000\n0.000000 -0.000000 9.110166\nLi Sb Te\n1 1 1\ndirect\n-0.000000 0.000000 0.327096 Li\n-0.000000 0.000000 0.621811 Sb\n-0.000000 0.000000 0.036113 Te\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.03352259821252672,
"volume": 89.4918699612896,
"volume_molar": 17.964421259416724,
"formula_full": "Li1 Sb1 Te1",
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"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 99
},
{
"id": "jvasp-122849",
"created_at": "2022-09-04T14:38:55.127579Z",
"updated_at": "2022-09-04T14:38:55.127602Z",
"structure_string": "Sm3 Ga1\n1.0\n1.829202 -3.168270 0.000000\n1.829202 3.168270 -0.000000\n-0.000000 0.000000 10.294638\nSm Ga\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.212388 Sm\n0.666667 0.333333 0.787612 Sm\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.247657247168459,
"density_atomic": 0.03352239686619766,
"volume": 119.32320997110455,
"volume_molar": 17.96452915952568,
"formula_full": "Sm3 Ga1",
"formula_reduced": "Sm3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0134259166666666,
"spacegroup": 164
},
{
"id": "jvasp-69062",
"created_at": "2022-09-04T14:36:20.325066Z",
"updated_at": "2022-09-04T14:36:20.325086Z",
"structure_string": "Ba1 V1 Br2\n1.0\n4.048849 0.000000 0.000000\n0.000000 4.049203 0.000000\n0.000000 0.000000 7.278258\nBa V Br\n1 1 2\ndirect\n0.500000 0.500000 0.768992 Ba\n0.000000 0.000000 0.384183 V\n0.000000 0.000000 0.007429 Br\n0.500000 0.500000 0.339397 Br\n",
"nsites": 4,
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"elements": [
"Ba",
"V",
"Br"
],
"chemical_system": "Ba-Br-V",
"density": 4.843900618575842,
"density_atomic": 0.03352211523914489,
"volume": 119.32421243302294,
"volume_molar": 17.964680083695153,
"formula_full": "Ba1 V1 Br2",
"formula_reduced": "BaVBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.803214595,
"spacegroup": 99
},
{
"id": "jvasp-112489",
"created_at": "2022-09-04T14:38:41.208495Z",
"updated_at": "2022-09-04T14:38:41.208513Z",
"structure_string": "Te12 Ir2 Cl6\n1.0\n8.560861 0.049799 -2.716356\n-3.725205 7.708026 -2.716356\n0.031041 0.049799 8.981423\nTe Ir Cl\n12 2 6\ndirect\n0.918016 0.174617 0.193621 Te\n0.325384 0.581984 0.306378 Te\n0.581984 0.306379 0.325383 Te\n0.825384 0.806379 0.081984 Te\n0.806379 0.081984 0.825383 Te\n0.081985 0.825384 0.806378 Te\n0.306379 0.325384 0.581984 Te\n0.418016 0.693622 0.674616 Te\n0.693622 0.674617 0.418015 Te\n0.174616 0.193621 0.918016 Te\n0.193622 0.918016 0.174616 Te\n0.674617 0.418016 0.693621 Te\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.749999 Ir\n0.479436 0.750000 0.020565 Cl\n0.979435 0.520565 0.249999 Cl\n0.250001 0.979436 0.520565 Cl\n0.520565 0.250000 0.979434 Cl\n0.750000 0.020565 0.479434 Cl\n0.020565 0.479435 0.750000 Cl\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cl-Ir-Te",
"density": 5.923583541713803,
"density_atomic": 0.03352138547021129,
"volume": 596.6340507546432,
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"formula_full": "Te12 Ir2 Cl6",
"formula_reduced": "Te6IrCl3",
"formula_anonymous": "AB3C6",
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"spacegroup": 167
},
{
"id": "jvasp-78816",
"created_at": "2022-09-04T14:36:36.084836Z",
"updated_at": "2022-09-04T14:36:36.084861Z",
"structure_string": "Ho1 Sb2\n1.0\n3.385945 -0.000000 0.000000\n-1.692972 3.128176 0.000000\n0.000000 0.000000 8.449967\nHo Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000001 0.500001 0.702532 Sb\n0.500001 0.500001 0.297469 Sb\n",
"nsites": 3,
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"elements": [
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"Sb"
],
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"density_atomic": 0.03351931716069346,
"volume": 89.50062990895174,
"volume_molar": 17.966179714012444,
"formula_full": "Ho1 Sb2",
"formula_reduced": "HoSb2",
"formula_anonymous": "AB2",
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"spacegroup": 21
},
{
"id": "jvasp-116356",
"created_at": "2022-09-04T14:38:47.324968Z",
"updated_at": "2022-09-04T14:38:47.324991Z",
"structure_string": "Na1 Hg1\n1.0\n4.333323 0.000000 0.000000\n0.000000 4.333323 -0.000000\n0.000000 0.000000 3.177569\nNa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.222207461228921,
"density_atomic": 0.033519141112866246,
"volume": 59.667399986937745,
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"formula_full": "Na1 Hg1",
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"spacegroup": 123
},
{
"id": "jvasp-110891",
"created_at": "2022-09-04T14:38:37.180745Z",
"updated_at": "2022-09-04T14:38:37.180777Z",
"structure_string": "Yb3 Cd1\n1.0\n4.785988 -0.000000 2.763192\n1.595329 4.512273 2.763192\n-0.000000 -0.000000 5.526383\nYb Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.749999 0.749999 Yb\n0.500000 0.500000 0.499999 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.786902723465241,
"density_atomic": 0.03351598896232911,
"volume": 119.3460233113178,
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"formula_full": "Yb3 Cd1",
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"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9156",
"created_at": "2022-09-04T14:38:31.046374Z",
"updated_at": "2022-09-04T14:38:31.046394Z",
"structure_string": "Te6 As4\n1.0\n4.088668 0.000000 0.000000\n-2.044334 7.248729 -0.697688\n0.000000 -0.060365 10.073460\nTe As\n6 4\ndirect\n0.032065 0.064130 0.286526 Te\n0.967936 0.935869 0.713474 Te\n0.780703 0.561405 0.338644 Te\n0.219298 0.438594 0.661356 Te\n0.374307 0.748612 0.035268 Te\n0.625695 0.251387 0.964732 Te\n0.617192 0.234384 0.441758 As\n0.382809 0.765615 0.558241 As\n0.202655 0.405310 0.140499 As\n0.797346 0.594689 0.859501 As\n",
"nsites": 10,
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"elements": [
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"density": 5.928484178163793,
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"volume": 298.3814464468325,
"volume_molar": 17.96895070675227,
"formula_full": "Te6 As4",
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"formula_anonymous": "A2B3",
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"spacegroup": 12
},
{
"id": "jvasp-65282",
"created_at": "2022-09-04T14:36:16.883336Z",
"updated_at": "2022-09-04T14:36:16.883345Z",
"structure_string": "Be1 Tl1 Sb4\n1.0\n-0.000000 4.473384 4.473384\n4.473384 -0.000000 4.473384\n4.473384 4.473384 0.000000\nBe Tl Sb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.120909 0.626363 0.626363 Sb\n0.626363 0.626363 0.626363 Sb\n0.626363 0.120909 0.626363 Sb\n0.626363 0.626363 0.120909 Sb\n",
"nsites": 6,
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"volume": 179.03524539915338,
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"formula_full": "Be1 Tl1 Sb4",
"formula_reduced": "BeTlSb4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-10700",
"created_at": "2022-09-04T14:36:50.428887Z",
"updated_at": "2022-09-04T14:36:50.428897Z",
"structure_string": "Rb4 Sb4 S8\n1.0\n6.491006 0.033948 -0.009967\n-1.594842 6.288621 -0.058588\n-2.237680 -2.614831 11.709564\nRb Sb S\n4 4 8\ndirect\n0.637162 0.759647 0.469128 Rb\n0.504552 0.109274 0.160913 Rb\n0.969157 0.150573 0.895191 Rb\n0.172318 0.718188 0.734820 Rb\n0.653360 0.629014 0.968254 Sb\n0.057778 0.218298 0.401687 Sb\n0.083739 0.650943 0.228270 Sb\n0.487887 0.239537 0.661646 Sb\n0.048260 0.259238 0.180318 S\n0.093553 0.610021 0.449742 S\n0.497815 0.234755 0.906531 S\n0.448043 0.221794 0.437127 S\n0.643634 0.633785 0.723494 S\n0.091146 0.192027 0.633774 S\n0.050192 0.676789 0.996217 S\n0.693410 0.647117 0.192881 S\n",
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}
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}