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{
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{
"id": "jvasp-36976",
"created_at": "2022-09-04T14:38:17.155869Z",
"updated_at": "2022-09-04T14:38:17.155884Z",
"structure_string": "Rb2 Sn2 F6\n1.0\n5.748575 -0.067522 3.062546\n1.808328 5.457163 3.062546\n-0.094674 -0.067523 6.512783\nRb Sn F\n2 2 6\ndirect\n0.876299 0.876300 0.876297 Rb\n0.123700 0.123701 0.123702 Rb\n0.636683 0.636683 0.636682 Sn\n0.363318 0.363319 0.363318 Sn\n0.955716 0.746168 0.473114 F\n0.746169 0.473114 0.955713 F\n0.473114 0.955714 0.746167 F\n0.044286 0.253834 0.526887 F\n0.526887 0.044286 0.253832 F\n0.253833 0.526885 0.044287 F\n",
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{
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"structure_string": "Bi8 Pb4 S16\n1.0\n4.112157 0.000000 0.000000\n0.000000 11.841581 0.000000\n0.000000 0.000000 14.671629\nBi Pb S\n8 4 16\ndirect\n0.250000 0.397917 0.402018 Bi\n0.750001 0.602083 0.597982 Bi\n0.750001 0.066989 0.391531 Bi\n0.250000 0.897917 0.097982 Bi\n0.750001 0.102083 0.902018 Bi\n0.250000 0.433011 0.891532 Bi\n0.250000 0.933011 0.608469 Bi\n0.750001 0.566989 0.108469 Bi\n0.750001 0.747433 0.847531 Pb\n0.250000 0.752567 0.347531 Pb\n0.250000 0.252567 0.152469 Pb\n0.750001 0.247433 0.652469 Pb\n0.750001 0.262992 0.299933 S\n0.750001 0.517015 0.786428 S\n0.250000 0.663642 0.987240 S\n0.750001 0.017015 0.713572 S\n0.250000 0.482985 0.213572 S\n0.250000 0.982985 0.286428 S\n0.250000 0.163642 0.512760 S\n0.250000 0.237008 0.799933 S\n0.750001 0.762992 0.200067 S\n0.750001 0.555155 0.408889 S\n0.750001 0.336358 0.012760 S\n0.250000 0.444845 0.591111 S\n0.250000 0.737008 0.700067 S\n0.750001 0.836358 0.487240 S\n0.250000 0.944845 0.908889 S\n0.750001 0.055155 0.091111 S\n",
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{
"id": "jvasp-109906",
"created_at": "2022-09-04T14:38:17.167234Z",
"updated_at": "2022-09-04T14:38:17.167255Z",
"structure_string": "Li2 Pr2 S4\n1.0\n5.187588 0.014104 -4.643986\n-1.027094 5.084913 -4.643986\n-0.011508 -0.014104 6.962581\nLi Pr S\n2 2 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.499999 -0.000001 Li\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.499999 Pr\n0.499523 -0.000477 0.500000 S\n0.000477 0.500477 0.500000 S\n0.749524 0.749522 -0.000001 S\n0.250477 0.250477 -0.000000 S\n",
"nsites": 8,
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"volume": 183.08478861036136,
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"formula_full": "Li2 Pr2 S4",
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"spacegroup": 141
},
{
"id": "jvasp-19968",
"created_at": "2022-09-04T14:38:17.167643Z",
"updated_at": "2022-09-04T14:38:17.167660Z",
"structure_string": "Sb2 Pd2\n1.0\n2.071075 -3.587208 -0.000000\n2.071075 3.587208 -0.000000\n-0.000000 0.000000 5.711446\nSb Pd\n2 2\ndirect\n0.333334 0.666668 0.750001 Sb\n0.666668 0.333334 0.250000 Sb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 84.86496891194247,
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"formula_full": "Sb2 Pd2",
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{
"id": "jvasp-109496",
"created_at": "2022-09-04T14:38:17.175558Z",
"updated_at": "2022-09-04T14:38:17.175583Z",
"structure_string": "Rb8\n1.0\n11.743670 -0.107381 3.591959\n9.235135 7.255178 3.591959\n0.220396 0.075092 7.801862\nRb\n8\ndirect\n0.187556 0.687452 0.562538 Rb\n0.312549 0.812444 0.937462 Rb\n0.562346 0.062628 0.687424 Rb\n0.812444 0.312549 0.437462 Rb\n0.437654 0.937372 0.312575 Rb\n0.937372 0.437654 0.812575 Rb\n0.687451 0.187556 0.062538 Rb\n0.062628 0.562346 0.187425 Rb\n",
"nsites": 8,
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"elements": [
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"spacegroup": 229
},
{
"id": "jvasp-55150",
"created_at": "2022-09-04T14:38:17.185457Z",
"updated_at": "2022-09-04T14:38:17.185491Z",
"structure_string": "Lu1 Cu5\n1.0\n4.275329 -0.000000 2.468362\n1.425109 4.030819 2.468362\n-0.000000 -0.000000 4.936725\nLu Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Lu\n0.624129 0.624129 0.127612 Cu\n0.127613 0.624129 0.624128 Cu\n0.250000 0.250000 0.249999 Cu\n0.624129 0.127612 0.624128 Cu\n0.624129 0.624129 0.624128 Cu\n",
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"elements": [
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},
{
"id": "jvasp-58860",
"created_at": "2022-09-04T14:38:17.185772Z",
"updated_at": "2022-09-04T14:38:17.185806Z",
"structure_string": "Na8 Ge4 Se10\n1.0\n7.060328 -0.017380 -0.005340\n1.146508 8.036325 0.009765\n3.497068 2.556721 9.804158\nNa Ge Se\n8 4 10\ndirect\n0.204154 -0.000171 0.592397 Na\n0.795847 0.000171 0.407603 Na\n0.912021 0.520036 0.685347 Na\n0.087979 0.479963 0.314653 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.272643 0.490626 0.896321 Na\n0.727357 0.509373 0.103679 Na\n0.617829 0.840974 0.832690 Ge\n0.382172 0.159025 0.167311 Ge\n0.425721 0.842801 0.230517 Ge\n0.574279 0.157198 0.769484 Ge\n0.253750 0.246395 0.744213 Se\n0.054751 0.245781 0.154230 Se\n0.945250 0.754218 0.845771 Se\n0.647572 0.259119 0.947416 Se\n0.352429 0.740880 0.052584 Se\n0.839314 0.252010 0.568402 Se\n0.160687 0.747989 0.431599 Se\n0.537523 0.744881 0.668941 Se\n0.462477 0.255118 0.331059 Se\n0.746251 0.753604 0.255787 Se\n",
"nsites": 22,
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"elements": [
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"Ge",
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],
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"density": 3.7723413588724326,
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"volume": 556.4319234828088,
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"formula_full": "Na8 Ge4 Se10",
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"formula_anonymous": "A2B4C5",
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"spacegroup": 2
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{
"id": "jvasp-109027",
"created_at": "2022-09-04T14:38:17.189073Z",
"updated_at": "2022-09-04T14:38:17.189100Z",
"structure_string": "Ca3 Y1\n1.0\n5.131864 -0.000000 2.962883\n1.710621 4.838368 2.962883\n-0.000000 -0.000000 5.925766\nCa Y\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.750000 0.750000 Ca\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
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{
"id": "jvasp-17537",
"created_at": "2022-09-04T14:38:17.192434Z",
"updated_at": "2022-09-04T14:38:17.192470Z",
"structure_string": "Pb2 Au4\n1.0\n4.959241 0.000000 2.863219\n1.653080 4.675617 2.863219\n0.000000 0.000000 5.726439\nPb Au\n2 4\ndirect\n0.125000 0.125000 0.125000 Pb\n0.875000 0.875000 0.875001 Pb\n0.500000 -0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 6,
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"formula_full": "Pb2 Au4",
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{
"id": "jvasp-58958",
"created_at": "2022-09-04T14:38:17.196996Z",
"updated_at": "2022-09-04T14:38:17.197010Z",
"structure_string": "Rb12 Bi4 Se12\n1.0\n10.121481 0.000000 -0.000000\n-0.000000 10.121481 0.000000\n-0.000000 -0.000000 10.121481\nRb Bi Se\n12 4 12\ndirect\n0.324028 0.324028 0.324028 Rb\n0.175972 0.675972 0.824028 Rb\n0.824028 0.175972 0.675972 Rb\n0.675972 0.824028 0.175972 Rb\n0.569787 0.569787 0.569787 Rb\n0.930213 0.430213 0.069787 Rb\n0.069787 0.930213 0.430213 Rb\n0.430213 0.069787 0.930213 Rb\n0.813842 0.813842 0.813842 Rb\n0.686158 0.186158 0.313842 Rb\n0.313842 0.686158 0.186158 Rb\n0.186158 0.313842 0.686158 Rb\n0.965128 0.534872 0.465128 Bi\n0.534872 0.465128 0.965128 Bi\n0.465128 0.965128 0.534872 Bi\n0.034872 0.034872 0.034872 Bi\n0.219696 0.612012 0.499019 Se\n0.499019 0.219696 0.612012 Se\n0.612012 0.499019 0.219696 Se\n0.887988 0.500981 0.719696 Se\n0.999019 0.280304 0.387988 Se\n0.387988 0.999019 0.280304 Se\n0.000981 0.780304 0.112012 Se\n0.500981 0.719696 0.887988 Se\n0.112012 0.000981 0.780304 Se\n0.719696 0.887988 0.500981 Se\n0.780304 0.112012 0.000981 Se\n0.280304 0.387988 0.999019 Se\n",
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{
"id": "jvasp-8218",
"created_at": "2022-09-04T14:38:17.197725Z",
"updated_at": "2022-09-04T14:38:17.197742Z",
"structure_string": "Hf2 S6\n1.0\n0.000000 5.123018 -0.012751\n3.604546 0.000000 0.000000\n0.000000 -1.152323 -8.941920\nHf S\n2 6\ndirect\n0.716064 0.250000 0.345334 Hf\n0.283937 0.750001 0.654666 Hf\n0.120484 0.250000 0.830229 S\n0.879517 0.750001 0.169771 S\n0.762022 0.750001 0.553434 S\n0.237979 0.250000 0.446566 S\n0.471062 0.750001 0.172751 S\n0.528939 0.250000 0.827249 S\n",
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},
{
"id": "jvasp-12497",
"created_at": "2022-09-04T14:38:17.198093Z",
"updated_at": "2022-09-04T14:38:17.198107Z",
"structure_string": "Ba2 Bi1 Sb1 O6\n1.0\n5.276925 0.000000 3.032889\n1.784846 4.989484 3.001651\n-0.005776 -0.007115 6.117155\nBa Bi Sb O\n2 1 1 6\ndirect\n0.248817 0.247744 0.254621 Ba\n0.751182 0.752255 0.745379 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.499999 0.500000 Sb\n0.297304 0.238423 0.698383 O\n0.234110 0.761575 0.301617 O\n0.702696 0.761575 0.301617 O\n0.765889 0.238423 0.698383 O\n0.731352 0.327315 0.209979 O\n0.268647 0.672683 0.790021 O\n",
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}
]
}