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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1170",
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"results": [
{
"id": "jvasp-35004",
"created_at": "2022-09-04T14:37:29.962126Z",
"updated_at": "2022-09-04T14:37:29.962151Z",
"structure_string": "Mn2 Co2 Sb2\n1.0\n4.040125 0.000000 0.000000\n-0.000000 4.040125 -0.000000\n0.000000 0.000000 6.027659\nMn Co Sb\n2 2 2\ndirect\n0.499999 0.000000 0.254881 Mn\n0.000000 0.499999 0.745119 Mn\n0.499999 0.499999 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.499999 0.000000 0.718774 Sb\n0.000000 0.499999 0.281226 Sb\n",
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{
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"structure_string": "Be1 Ga2 Ru1\n1.0\n-1.833333 1.833333 3.874935\n1.833333 -1.833333 3.874935\n1.833333 1.833333 -3.874935\nBe Ga Ru\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500001 0.000000 Ga\n0.250000 0.750000 0.499999 Ru\n",
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{
"id": "jvasp-107559",
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"structure_string": "Ga1 Ni4 Ge3\n1.0\n6.082921 0.009103 1.100175\n4.867019 3.648853 1.100175\n0.023624 0.007892 4.928632\nGa Ni Ge\n1 4 3\ndirect\n0.427409 0.427408 0.290873 Ga\n0.001520 0.001519 0.999545 Ni\n0.205525 0.205524 0.671664 Ni\n0.792974 0.792971 0.328394 Ni\n0.001315 0.001315 0.500285 Ni\n0.569372 0.569370 0.711476 Ge\n0.185514 0.185513 0.176675 Ge\n0.816376 0.816373 0.821091 Ge\n",
"nsites": 8,
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"volume": 109.07084442117517,
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"formula_full": "Ga1 Ni4 Ge3",
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"formula_anonymous": "AB3C4",
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"spacegroup": 8
},
{
"id": "jvasp-93702",
"created_at": "2022-09-04T14:36:16.311081Z",
"updated_at": "2022-09-04T14:36:16.311091Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790777 0.026195 5.352072\n1.722485 3.376940 5.352072\n0.042438 0.026195 6.558419\nSr Pu O\n1 1 4\ndirect\n0.500001 0.500001 0.499998 Sr\n0.000000 0.000000 0.000000 Pu\n0.107098 0.107098 0.107098 O\n0.892903 0.892905 0.892899 O\n0.358586 0.358586 0.358584 O\n0.641416 0.641417 0.641412 O\n",
"nsites": 6,
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"elements": [
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"Pu",
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"chemical_system": "O-Pu-Sr",
"density": 7.952397397619758,
"density_atomic": 0.0726314347862286,
"volume": 82.60885961649265,
"volume_molar": 8.291369677226639,
"formula_full": "Sr1 Pu1 O4",
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"formula_anonymous": "ABC4",
"energy_above_hull": 2.6359833850000003,
"spacegroup": 166
},
{
"id": "jvasp-16026",
"created_at": "2022-09-04T14:36:01.685983Z",
"updated_at": "2022-09-04T14:36:01.686009Z",
"structure_string": "Sr1 Pu1 O4\n1.0\n3.790773 0.026161 5.351971\n1.722453 3.376952 5.351971\n0.042382 0.026161 6.558336\nSr Pu O\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.000000 0.000000 0.000000 Pu\n0.641429 0.641429 0.641431 O\n0.358570 0.358570 0.358571 O\n0.107103 0.107103 0.107104 O\n0.892895 0.892895 0.892899 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 7.952308193229831,
"density_atomic": 0.07263062005797678,
"volume": 82.6097862748597,
"volume_molar": 8.291462685012018,
"formula_full": "Sr1 Pu1 O4",
"formula_reduced": "SrPuO4",
"formula_anonymous": "ABC4",
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"spacegroup": 166
},
{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"C"
],
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"density": 7.95208543457558,
"density_atomic": 0.07508247376442498,
"volume": 133.18687436132566,
"volume_molar": 8.020701047883383,
"formula_full": "Tm2 Mn4 Si2 C2",
"formula_reduced": "TmMn2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-1384",
"created_at": "2022-09-04T14:36:10.364782Z",
"updated_at": "2022-09-04T14:36:10.364807Z",
"structure_string": "Li1 Pb1\n1.0\n3.549451 0.000000 0.000000\n0.000000 3.549451 0.000000\n0.000000 0.000000 3.549451\nLi Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.951798537459951,
"density_atomic": 0.04472459744214759,
"volume": 44.718121892255176,
"volume_molar": 13.464941227899912,
"formula_full": "Li1 Pb1",
"formula_reduced": "LiPb",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-21665",
"created_at": "2022-09-04T14:38:34.006675Z",
"updated_at": "2022-09-04T14:38:34.006704Z",
"structure_string": "Ca3 Si4 Ir4\n1.0\n6.106191 0.000000 -2.158864\n-3.053095 5.288117 -2.158864\n0.000000 0.000000 6.476593\nCa Si Ir\n3 4 4\ndirect\n0.500000 0.500000 0.000001 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 -0.000000 0.365340 Si\n0.634659 0.634660 0.634660 Si\n0.365340 -0.000000 0.000000 Si\n-0.000000 0.365340 0.000000 Si\n-0.000000 -0.000000 0.719308 Ir\n0.719308 -0.000000 0.000000 Ir\n0.280691 0.280692 0.280692 Ir\n-0.000000 0.719309 0.000001 Ir\n",
"nsites": 11,
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"elements": [
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"Si",
"Ir"
],
"chemical_system": "Ca-Ir-Si",
"density": 7.951658498629778,
"density_atomic": 0.0525986549900163,
"volume": 209.13082287157152,
"volume_molar": 11.44922956897483,
"formula_full": "Ca3 Si4 Ir4",
"formula_reduced": "Ca3(SiIr)4",
"formula_anonymous": "A3B4C4",
"energy_above_hull": 3.1900500054545446,
"spacegroup": 217
},
{
"id": "jvasp-101039",
"created_at": "2022-09-04T14:36:48.716115Z",
"updated_at": "2022-09-04T14:36:48.716140Z",
"structure_string": "Tl2 In6\n1.0\n6.908914 0.000000 0.000000\n-3.454457 5.983295 0.000000\n0.000000 0.000000 5.545232\nTl In\n2 6\ndirect\n0.333333 0.666666 0.750000 Tl\n0.666666 0.333333 0.250000 Tl\n0.163989 0.327978 0.250000 In\n0.672020 0.836010 0.250000 In\n0.163989 0.836010 0.250000 In\n0.836010 0.672021 0.750000 In\n0.327978 0.163989 0.750000 In\n0.836010 0.163989 0.750000 In\n",
"nsites": 8,
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"elements": [
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"In"
],
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"density": 7.9515682138955786,
"density_atomic": 0.034899569007696196,
"volume": 229.22919186296562,
"volume_molar": 17.25563074624782,
"formula_full": "Tl2 In6",
"formula_reduced": "TlIn3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-39131",
"created_at": "2022-09-04T14:37:47.646285Z",
"updated_at": "2022-09-04T14:37:47.646317Z",
"structure_string": "Sc1 Ti1 Ru2\n1.0\n0.000000 3.134649 3.134649\n3.134649 0.000000 3.134649\n3.134649 3.134649 0.000000\nSc Ti Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Sc\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
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"density_atomic": 0.06493266703757966,
"volume": 61.60227482547432,
"volume_molar": 9.27443925338027,
"formula_full": "Sc1 Ti1 Ru2",
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},
{
"id": "jvasp-38479",
"created_at": "2022-09-04T14:37:53.098814Z",
"updated_at": "2022-09-04T14:37:53.098841Z",
"structure_string": "Na1 Ac2 Pb1\n1.0\n-0.000000 4.149504 4.149504\n4.149504 0.000000 4.149504\n4.149504 4.149504 -0.000000\nNa Ac Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ac\n0.499999 0.499999 0.499999 Ac\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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],
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"formula_full": "Na1 Ac2 Pb1",
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},
{
"id": "jvasp-59246",
"created_at": "2022-09-04T14:38:08.273295Z",
"updated_at": "2022-09-04T14:38:08.273321Z",
"structure_string": "Ta4 Ga4 O16\n1.0\n5.005125 0.000000 0.000000\n0.000000 5.626340 0.000000\n0.000000 0.000000 9.335288\nTa Ga O\n4 4 16\ndirect\n0.762257 0.583031 0.126955 Ta\n0.762257 0.083031 0.373045 Ta\n0.262257 0.916969 0.626956 Ta\n0.262257 0.416969 0.873045 Ta\n0.245526 0.433173 0.378939 Ga\n0.745526 0.566827 0.621061 Ga\n0.745526 0.066827 0.878939 Ga\n0.245526 0.933173 0.121061 Ga\n0.921890 0.362577 0.991441 O\n0.417245 0.140231 0.987276 O\n0.576630 0.353273 0.759419 O\n0.076448 0.123364 0.762409 O\n0.576630 0.853273 0.740581 O\n0.076448 0.623364 0.737591 O\n0.417245 0.640231 0.512724 O\n0.576448 0.376636 0.262409 O\n0.917245 0.359769 0.487276 O\n0.421891 0.137423 0.491441 O\n0.421891 0.637423 0.008560 O\n0.076631 0.146727 0.259419 O\n0.576448 0.876636 0.237591 O\n0.076631 0.646727 0.240581 O\n0.921890 0.862577 0.508560 O\n0.917245 0.859769 0.012724 O\n",
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],
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"volume": 262.8867043890653,
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"formula_full": "Ta4 Ga4 O16",
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}