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{
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"results": [
{
"id": "jvasp-119149",
"created_at": "2022-09-04T14:38:35.625154Z",
"updated_at": "2022-09-04T14:38:35.625170Z",
"structure_string": "Sm2 Co16 Ag1\n1.0\n6.270625 0.003714 0.711084\n0.635421 6.238348 0.711084\n0.004109 0.003714 6.310813\nSm Co Ag\n2 16 1\ndirect\n0.652333 0.652333 0.652333 Sm\n0.343923 0.343923 0.343922 Sm\n0.006641 0.006641 0.488027 Co\n0.488027 0.006641 0.006641 Co\n0.006641 0.488028 0.006641 Co\n0.649088 0.649089 0.158062 Co\n0.158063 0.649089 0.649088 Co\n0.649088 0.158062 0.649088 Co\n0.344957 0.344957 0.846913 Co\n0.846913 0.344957 0.344957 Co\n0.344957 0.846913 0.344957 Co\n0.290426 0.000613 0.710554 Co\n0.710554 0.290426 0.000613 Co\n0.000613 0.710554 0.290425 Co\n0.290426 0.710554 0.000613 Co\n0.000613 0.290426 0.710554 Co\n0.710554 0.000613 0.290426 Co\n0.108353 0.108353 0.108353 Co\n0.897826 0.897826 0.897825 Ag\n",
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{
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"created_at": "2022-09-04T14:35:53.488187Z",
"updated_at": "2022-09-04T14:35:53.488204Z",
"structure_string": "Li1 Nb1 Te3 O12\n1.0\n0.000000 4.895073 0.044854\n8.552244 0.000000 0.000000\n0.000000 -0.140210 -5.276549\nLi Nb Te O\n1 1 3 12\ndirect\n0.500000 0.804042 0.500001 Li\n0.000000 0.899218 0.000000 Nb\n0.500000 0.576467 0.000000 Te\n0.500000 0.395243 0.500001 Te\n0.000000 0.086905 0.500000 Te\n0.795099 0.066715 0.799813 O\n0.293564 0.568387 0.672569 O\n0.219734 0.924591 0.679304 O\n0.249454 0.248095 0.642852 O\n0.750545 0.248095 0.357149 O\n0.706435 0.568387 0.327432 O\n0.715311 0.415214 0.820737 O\n0.204901 0.066715 0.200188 O\n0.284689 0.415214 0.179264 O\n0.267594 0.738917 0.123824 O\n0.780265 0.924591 0.320697 O\n0.732405 0.738917 0.876178 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Li-Nb-O-Te",
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"density_atomic": 0.07697779146898358,
"volume": 220.84291684114837,
"volume_molar": 7.823218418037471,
"formula_full": "Li1 Nb1 Te3 O12",
"formula_reduced": "LiNb(TeO4)3",
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"spacegroup": 3
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{
"id": "jvasp-23444",
"created_at": "2022-09-04T14:37:36.018080Z",
"updated_at": "2022-09-04T14:37:36.018095Z",
"structure_string": "B4 Pd12\n1.0\n4.896644 0.000000 0.000000\n0.000000 5.515631 0.000000\n0.000000 0.000000 7.696201\nB Pd\n4 12\ndirect\n0.565290 0.111160 0.750000 B\n0.065290 0.388840 0.250000 B\n0.934709 0.611159 0.750000 B\n0.434710 0.888840 0.250000 B\n0.675825 0.819955 0.928267 Pd\n0.175825 0.680045 0.071733 Pd\n0.824174 0.319955 0.571733 Pd\n0.324174 0.180045 0.428267 Pd\n0.841434 0.038190 0.250000 Pd\n0.341434 0.461809 0.750000 Pd\n0.658565 0.538190 0.250000 Pd\n0.158566 0.961809 0.750000 Pd\n0.675825 0.819955 0.571733 Pd\n0.175825 0.680045 0.428267 Pd\n0.824174 0.319955 0.928267 Pd\n0.324174 0.180045 0.071733 Pd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "B-Pd",
"density": 10.547421981696191,
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"volume": 207.85962340480327,
"volume_molar": 7.823499440401973,
"formula_full": "B4 Pd12",
"formula_reduced": "BPd3",
"formula_anonymous": "AB3",
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"spacegroup": 62
},
{
"id": "jvasp-40325",
"created_at": "2022-09-04T14:37:45.617921Z",
"updated_at": "2022-09-04T14:37:45.617946Z",
"structure_string": "Li1 Ga2 Ni1\n1.0\n-0.000000 2.961838 2.961838\n2.961838 0.000000 2.961838\n2.961838 2.961838 0.000000\nLi Ga Ni\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Ga\n0.499999 0.499999 0.499999 Ga\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.553289521855864,
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"volume": 51.96535493483187,
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"formula_full": "Li1 Ga2 Ni1",
"formula_reduced": "LiGa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1198892625,
"spacegroup": 225
},
{
"id": "jvasp-8333",
"created_at": "2022-09-04T14:36:46.097026Z",
"updated_at": "2022-09-04T14:36:46.097036Z",
"structure_string": "Y1 Ag1 O3\n1.0\n4.019852 0.000000 -0.000000\n-0.000000 4.019852 0.000000\n-0.000000 0.000000 4.019852\nY Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.257215118248722,
"density_atomic": 0.07697324803100818,
"volume": 64.95763304655901,
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"formula_full": "Y1 Ag1 O3",
"formula_reduced": "YAgO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-54710",
"created_at": "2022-09-04T14:37:28.231275Z",
"updated_at": "2022-09-04T14:37:28.231303Z",
"structure_string": "H3 Br1 O1\n1.0\n2.536606 1.464510 2.914355\n-2.536606 1.464510 2.914355\n-0.000000 -2.929020 2.914355\nH Br O\n3 1 1\ndirect\n0.303072 0.635806 0.303072 H\n0.303072 0.303072 0.635806 H\n0.635806 0.303072 0.303072 H\n-0.002507 -0.002507 -0.002507 Br\n0.451411 0.451411 0.451411 O\n",
"nsites": 5,
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"elements": [
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"Br",
"O"
],
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"density_atomic": 0.07697167627623684,
"volume": 64.95895947563805,
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"formula_full": "H3 Br1 O1",
"formula_reduced": "H3BrO",
"formula_anonymous": "ABC3",
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"spacegroup": 160
},
{
"id": "jvasp-40900",
"created_at": "2022-09-04T14:37:36.784140Z",
"updated_at": "2022-09-04T14:37:36.784167Z",
"structure_string": "Li2 Si2 Bi2 O8\n1.0\n5.067155 -0.004352 0.009945\n-2.537347 4.394814 -0.019889\n0.001979 -0.003428 8.171641\nLi Si Bi O\n2 2 2 8\ndirect\n0.406513 0.691483 0.046688 Li\n0.593486 0.284970 0.546688 Li\n0.290450 0.646465 0.452055 Si\n0.709548 0.356014 0.952055 Si\n0.069669 0.977923 0.214270 Bi\n-0.069671 0.908253 0.714270 Bi\n-0.037900 0.634667 0.486128 O\n0.394189 0.816116 0.271326 O\n0.535963 0.883104 0.588619 O\n0.254120 0.306891 0.452396 O\n0.464035 0.347140 0.088619 O\n0.605809 0.421925 0.771326 O\n0.745879 0.052772 -0.047604 O\n0.037899 0.672567 -0.013872 O\n",
"nsites": 14,
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"elements": [
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"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.623910713798682,
"density_atomic": 0.07697156166974914,
"volume": 181.88535734883223,
"volume_molar": 7.823851600982629,
"formula_full": "Li2 Si2 Bi2 O8",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 9
},
{
"id": "jvasp-54711",
"created_at": "2022-09-04T14:38:13.520667Z",
"updated_at": "2022-09-04T14:38:13.520693Z",
"structure_string": "H3 Br1 O1\n1.0\n4.123931 -0.186926 -0.129717\n1.195963 3.952062 -0.136532\n1.179669 0.840986 3.872639\nH Br O\n3 1 1\ndirect\n0.669047 0.687614 0.350144 H\n0.669225 0.354879 0.682744 H\n0.336255 0.687771 0.682776 H\n0.974659 0.993256 0.988566 Br\n0.520744 0.539334 0.534492 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Br-H-O",
"density": 2.5288234533018796,
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"volume": 64.96005616589902,
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"formula_full": "H3 Br1 O1",
"formula_reduced": "H3BrO",
"formula_anonymous": "ABC3",
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"spacegroup": 160
},
{
"id": "jvasp-70975",
"created_at": "2022-09-04T14:36:17.251083Z",
"updated_at": "2022-09-04T14:36:17.251104Z",
"structure_string": "Ta1 Be2 Zn1\n1.0\n2.768122 -3.648650 0.000000\n2.768122 3.648650 0.000000\n0.000000 0.000000 2.572718\nTa Be Zn\n1 2 1\ndirect\n0.500000 -0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000000 0.500000 0.500000 Zn\n",
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"volume": 51.968431945152695,
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"formula_full": "Ta1 Be2 Zn1",
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"spacegroup": 65
},
{
"id": "jvasp-35387",
"created_at": "2022-09-04T14:37:51.185066Z",
"updated_at": "2022-09-04T14:37:51.185077Z",
"structure_string": "Tm2 Cr2 C3\n1.0\n0.000000 3.322655 -0.000000\n0.026613 -0.000000 5.480386\n4.987255 -1.661328 -1.475923\nTm Cr C\n2 2 3\ndirect\n0.607445 0.316263 0.214891 Tm\n0.392553 0.683739 0.785109 Tm\n0.844539 0.114388 0.689083 Cr\n0.155459 0.885614 0.310917 Cr\n0.282354 0.235179 0.564711 C\n0.717644 0.764822 0.435290 C\n0.000000 0.000000 0.000000 C\n",
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"formula_anonymous": "A2B2C3",
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},
{
"id": "jvasp-87082",
"created_at": "2022-09-04T14:36:06.874113Z",
"updated_at": "2022-09-04T14:36:06.874132Z",
"structure_string": "Ti6 Fe6 Si6\n1.0\n5.599768 0.000000 -2.730465\n-1.660106 5.862779 -3.404625\n0.010033 -0.012821 7.127945\nTi Fe Si\n6 6 6\ndirect\n0.036286 0.022421 0.544841 Ti\n0.105438 0.554969 0.609938 Ti\n0.916534 0.247047 0.994092 Ti\n0.491444 0.977579 0.455159 Ti\n0.922442 0.752953 0.005907 Ti\n0.495500 0.445032 0.390061 Ti\n0.743398 0.590112 0.246565 Fe\n0.496832 0.843546 0.753434 Fe\n0.251444 -0.000000 -0.000000 Fe\n0.251444 0.500000 0.000000 Fe\n0.743398 0.156454 0.246565 Fe\n0.496832 0.409889 0.753434 Fe\n0.828100 0.824597 0.665458 Si\n0.474737 0.219878 0.939757 Si\n0.828100 0.340863 0.665458 Si\n0.162642 0.659138 0.334542 Si\n0.162642 0.175403 0.334541 Si\n0.534979 0.780122 0.060243 Si\n",
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{
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"created_at": "2022-09-04T14:38:00.771964Z",
"updated_at": "2022-09-04T14:38:00.771986Z",
"structure_string": "Yb2 Cu1 Ge4 O12\n1.0\n-4.843031 0.022385 0.006541\n1.722022 7.003964 -0.054925\n-0.398633 -3.085972 -7.245844\nYb Cu Ge O\n2 1 4 12\ndirect\n0.931468 0.763384 0.544219 Yb\n0.068531 0.236616 0.455780 Yb\n0.000000 0.000000 0.000000 Cu\n0.461377 0.831245 0.224563 Ge\n0.538623 0.168755 0.775436 Ge\n0.408327 0.622199 0.801033 Ge\n0.591673 0.377801 0.198966 Ge\n0.241295 0.984890 0.806743 O\n0.766526 0.767225 0.824770 O\n0.233474 0.232775 0.175229 O\n0.241345 0.705504 0.015276 O\n0.381112 0.347462 0.731595 O\n0.252608 0.595856 0.595840 O\n0.747392 0.404144 0.404159 O\n0.758704 0.015110 0.193256 O\n0.756683 0.058100 0.602753 O\n0.243317 0.941900 0.397245 O\n0.618888 0.652538 0.268404 O\n0.758655 0.294496 0.984723 O\n",
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"formula_full": "Yb2 Cu1 Ge4 O12",
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}
]
}