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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=693",
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{
"id": "jvasp-96854",
"created_at": "2022-09-04T14:36:08.310065Z",
"updated_at": "2022-09-04T14:36:08.310081Z",
"structure_string": "Ce4 Zn4 Cu10\n1.0\n5.071037 -0.024000 11.957633\n2.411350 4.461096 11.957633\n-0.040471 -0.024000 12.988410\nCe Zn Cu\n4 4 10\ndirect\n0.945238 0.945238 0.945236 Ce\n0.152983 0.152983 0.152983 Ce\n0.847017 0.847017 0.847015 Ce\n0.054762 0.054762 0.054762 Ce\n0.500000 -0.000000 0.500000 Zn\n0.500000 0.500000 0.499999 Zn\n0.500000 0.500000 -0.000001 Zn\n-0.000000 0.500000 0.500000 Zn\n0.388439 0.388439 0.388438 Cu\n0.110589 0.608469 0.608468 Cu\n0.391531 0.889412 0.391530 Cu\n0.391531 0.391531 0.889411 Cu\n0.608469 0.110589 0.608468 Cu\n0.608469 0.608469 0.110588 Cu\n0.889412 0.391531 0.391530 Cu\n0.722725 0.722725 0.722723 Cu\n0.277276 0.277276 0.277275 Cu\n0.611561 0.611561 0.611560 Cu\n",
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{
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"structure_string": "Ba2 Pd2\n1.0\n-4.434677 0.000000 0.000000\n0.000000 0.000000 -4.709751\n-2.217338 -5.911638 -0.000000\nBa Pd\n2 2\ndirect\n0.138480 0.750000 0.723041 Ba\n0.861521 0.250000 0.276960 Ba\n0.427582 0.750000 0.144836 Pd\n0.572419 0.250000 0.855164 Pd\n",
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{
"id": "jvasp-17663",
"created_at": "2022-09-04T14:38:30.884355Z",
"updated_at": "2022-09-04T14:38:30.884367Z",
"structure_string": "Sm1 In1\n1.0\n3.808983 0.000000 -0.000000\n-0.000000 3.808983 -0.000000\n-0.000000 0.000000 3.808983\nSm In\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
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"formula_full": "Sm1 In1",
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"spacegroup": 221
},
{
"id": "jvasp-98225",
"created_at": "2022-09-04T14:35:40.760580Z",
"updated_at": "2022-09-04T14:35:40.760608Z",
"structure_string": "K16 Bi16\n1.0\n7.296352 0.000000 0.000000\n0.000000 12.357042 -5.284559\n0.000000 -0.038759 14.224638\nK Bi\n16 16\ndirect\n0.125438 0.557464 0.844917 K\n0.633868 0.359678 0.885334 K\n0.866131 0.859678 0.885334 K\n0.366131 0.640322 0.114666 K\n0.296066 0.039071 0.397361 K\n0.796066 0.460929 0.602639 K\n0.703934 0.960929 0.602639 K\n0.203934 0.539071 0.397360 K\n0.133868 0.140322 0.114666 K\n0.568666 0.307267 0.345421 K\n0.931333 0.807267 0.345421 K\n0.431333 0.692733 0.654579 K\n0.374561 0.057464 0.844917 K\n0.874561 0.442536 0.155083 K\n0.625438 0.942536 0.155083 K\n0.068666 0.192733 0.654579 K\n0.353570 0.822631 0.925982 Bi\n0.853570 0.677368 0.074017 Bi\n0.386377 0.371659 0.116599 Bi\n0.886377 0.128341 0.883402 Bi\n0.613623 0.628341 0.883401 Bi\n0.113623 0.871659 0.116598 Bi\n0.060897 0.271849 0.386988 Bi\n0.439103 0.771849 0.386988 Bi\n0.939103 0.728151 0.613012 Bi\n0.291310 0.391448 0.580017 Bi\n0.791309 0.108551 0.419983 Bi\n0.708690 0.608551 0.419983 Bi\n0.208690 0.891448 0.580017 Bi\n0.146429 0.322632 0.925983 Bi\n0.560897 0.228151 0.613012 Bi\n0.646429 0.177368 0.074017 Bi\n",
"nsites": 32,
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"elements": [
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],
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"volume": 1281.0177843512379,
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"formula_full": "K16 Bi16",
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"spacegroup": 14
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{
"id": "jvasp-101125",
"created_at": "2022-09-04T14:36:43.576254Z",
"updated_at": "2022-09-04T14:36:43.576273Z",
"structure_string": "Rb1 Na1 Cd3 O4\n1.0\n5.020059 0.028824 4.601652\n3.646152 3.450710 4.601652\n0.068314 0.027428 9.164324\nRb Na Cd O\n1 1 3 4\ndirect\n0.995159 0.995158 0.003591 Rb\n0.180301 0.180302 0.451263 Na\n0.808577 0.808577 0.553497 Cd\n0.379343 0.379344 0.801740 Cd\n0.629403 0.629402 0.194414 Cd\n0.240166 0.240166 0.152907 O\n0.765712 0.765712 0.833024 O\n0.597341 0.597341 0.652693 O\n0.403995 0.403995 0.356869 O\n",
"nsites": 9,
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"elements": [
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],
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"density_atomic": 0.05749358061234559,
"volume": 156.53921540707503,
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"formula_full": "Rb1 Na1 Cd3 O4",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 8
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{
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"created_at": "2022-09-04T14:38:06.757226Z",
"updated_at": "2022-09-04T14:38:06.757245Z",
"structure_string": "Y1 Cd1 Ga1\n1.0\n4.223800 -0.000000 2.438613\n1.407933 3.982238 2.438613\n-0.000000 0.000000 4.877226\nY Cd Ga\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cd\n0.499999 0.500000 0.500000 Ga\n",
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"Ga"
],
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"formula_full": "Y1 Cd1 Ga1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-38462",
"created_at": "2022-09-04T14:37:50.213462Z",
"updated_at": "2022-09-04T14:37:50.213482Z",
"structure_string": "Na1 Li2 Pb1\n1.0\n0.000000 3.485120 3.485120\n3.485120 0.000000 3.485120\n3.485120 3.485120 0.000000\nNa Li Pb\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Na\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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"elements": [
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"Li",
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"density_atomic": 0.04724727729184914,
"volume": 84.66096311310747,
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"formula_full": "Na1 Li2 Pb1",
"formula_reduced": "NaLi2Pb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120143",
"created_at": "2022-09-04T14:38:52.840727Z",
"updated_at": "2022-09-04T14:38:52.840760Z",
"structure_string": "Sn1 H1 F3\n1.0\n2.601242 1.501828 2.634777\n-2.601242 1.501828 2.634777\n0.000000 -3.003656 2.634777\nSn H F\n1 1 3\ndirect\n0.464809 0.464809 0.464810 Sn\n0.985163 0.985163 0.985165 H\n0.844555 0.844555 0.300682 F\n0.844554 0.300680 0.844556 F\n0.300680 0.844554 0.844556 F\n",
"nsites": 5,
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"F"
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"density_atomic": 0.08096064056924333,
"volume": 61.7584046376664,
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"formula_full": "Sn1 H1 F3",
"formula_reduced": "SnHF3",
"formula_anonymous": "ABC3",
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"spacegroup": 160
},
{
"id": "jvasp-67634",
"created_at": "2022-09-04T14:35:42.509393Z",
"updated_at": "2022-09-04T14:35:42.509414Z",
"structure_string": "Be1 Ga4 Sn1\n1.0\n0.000000 3.922364 3.922364\n3.922364 0.000000 3.922364\n3.922364 3.922364 0.000000\nBe Ga Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122743 0.625751 0.625751 Ga\n0.625751 0.625751 0.625751 Ga\n0.625751 0.122743 0.625751 Ga\n0.625751 0.625751 0.122743 Ga\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
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"volume": 120.69066448544832,
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"formula_full": "Be1 Ga4 Sn1",
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{
"id": "jvasp-105720",
"created_at": "2022-09-04T14:36:02.186765Z",
"updated_at": "2022-09-04T14:36:02.186793Z",
"structure_string": "Ba2 Br6\n1.0\n6.860426 0.000000 0.000000\n-3.430213 5.941303 -0.000000\n-0.000000 -0.000000 6.059049\nBa Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.171670 0.343338 0.250000 Br\n0.656663 0.828330 0.250000 Br\n0.171670 0.828330 0.250000 Br\n0.828331 0.656662 0.750000 Br\n0.343338 0.171669 0.750000 Br\n0.828331 0.171669 0.750000 Br\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:38:47.771482Z",
"updated_at": "2022-09-04T14:38:47.771515Z",
"structure_string": "Hg1 Pb3\n1.0\n3.628746 0.000000 -0.000000\n0.000000 3.628746 -0.000000\n-0.000000 0.000000 9.090867\nHg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.238015 Pb\n0.500001 0.500001 0.761985 Pb\n0.000000 -0.000000 0.500000 Pb\n",
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{
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}