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{
"id": "jvasp-121972",
"created_at": "2022-09-04T14:38:54.208658Z",
"updated_at": "2022-09-04T14:38:54.208687Z",
"structure_string": "Pr6 Pd8\n1.0\n7.459435 0.003524 -3.398524\n-5.284024 5.265194 -3.398524\n0.001455 0.003524 8.197142\nPr Pd\n6 8\ndirect\n0.404648 0.027587 0.279478 Pr\n0.027587 0.279478 0.404649 Pr\n0.279478 0.404648 0.027587 Pr\n0.595350 0.972411 0.720521 Pr\n0.972411 0.720520 0.595351 Pr\n0.720521 0.595349 0.972412 Pr\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n0.223167 0.059438 0.554517 Pd\n0.059438 0.554516 0.223168 Pd\n0.554516 0.223167 0.059438 Pd\n0.776831 0.940560 0.445483 Pd\n0.940561 0.445481 0.776832 Pd\n0.445482 0.776831 0.940561 Pd\n",
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{
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"structure_string": "Cu2 Ag1 Se2 O10\n1.0\n5.039285 0.078822 2.332764\n1.378266 4.847781 2.332764\n0.052741 0.040488 7.888775\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080740 0.080740 0.694551 Se\n0.919260 0.919259 0.305449 Se\n0.170776 0.170776 0.830911 O\n0.829224 0.829224 0.169089 O\n0.214976 0.214976 0.457757 O\n0.785024 0.785024 0.542243 O\n0.719945 0.189973 0.749223 O\n0.189973 0.719945 0.749223 O\n0.280055 0.810027 0.250777 O\n0.810027 0.280054 0.250777 O\n0.674251 0.674251 0.947211 O\n0.325748 0.325748 0.052789 O\n",
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"volume": 190.928112495664,
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{
"id": "jvasp-121970",
"created_at": "2022-09-04T14:38:26.067625Z",
"updated_at": "2022-09-04T14:38:26.067646Z",
"structure_string": "Ho3 Ga9 Pt2\n1.0\n7.881760 0.003193 -2.276157\n-1.059207 3.968161 -7.101747\n0.260426 -0.003193 8.199708\nHo Ga Pt\n3 9 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.324912 0.324911 -0.000001 Ho\n0.675088 0.675087 -0.000001 Ho\n0.500000 -0.000000 0.500000 Ga\n0.707945 0.331242 0.376703 Ga\n0.292055 0.668758 0.623297 Ga\n0.954539 0.331242 0.623296 Ga\n0.045461 0.668758 0.376703 Ga\n0.410146 0.130870 0.279276 Ga\n0.589854 0.869130 0.720723 Ga\n0.851593 0.130870 0.720724 Ga\n0.148407 0.869130 0.279276 Ga\n0.727281 0.499999 0.227280 Pt\n0.272719 0.500000 0.772719 Pt\n",
"nsites": 14,
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"elements": [
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"density": 9.710350826077665,
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"formula_full": "Ho3 Ga9 Pt2",
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"formula_anonymous": "A2B3C9",
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{
"id": "jvasp-12197",
"created_at": "2022-09-04T14:36:46.980964Z",
"updated_at": "2022-09-04T14:36:46.980991Z",
"structure_string": "Sn2 O4\n1.0\n-2.800157 -1.643549 -0.036578\n0.004828 3.210256 -0.489121\n-0.973573 1.867492 -9.297615\nSn O\n2 4\ndirect\n0.997694 -0.000478 0.502079 Sn\n0.997865 -0.000048 0.002074 Sn\n0.740046 0.484281 0.388440 O\n0.589086 0.182346 0.115367 O\n0.255344 0.514771 0.615724 O\n0.406639 0.817567 0.888776 O\n",
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"volume": 80.04948982794845,
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"formula_full": "Sn2 O4",
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},
{
"id": "jvasp-121969",
"created_at": "2022-09-04T14:38:54.347567Z",
"updated_at": "2022-09-04T14:38:54.347591Z",
"structure_string": "Nd3 Al11\n1.0\n8.118249 -0.013158 -2.544177\n-0.826439 4.141854 -7.385189\n0.002196 0.013158 8.507573\nNd Al\n3 11\ndirect\n0.000000 0.000000 0.000000 Nd\n0.317802 0.317801 -0.000001 Nd\n0.682198 0.682197 -0.000001 Nd\n0.500000 0.000000 0.500000 Al\n0.285536 0.500000 0.785535 Al\n0.714464 0.499999 0.214463 Al\n0.965188 0.335189 0.629997 Al\n0.034813 0.664810 0.370002 Al\n0.705192 0.335189 0.370001 Al\n0.294808 0.664810 0.629997 Al\n0.864615 0.138493 0.726121 Al\n0.135385 0.861506 0.273878 Al\n0.412373 0.138493 0.273878 Al\n0.587628 0.861506 0.726120 Al\n",
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"volume": 286.8111485301359,
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"formula_full": "Nd3 Al11",
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"formula_anonymous": "A3B11",
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{
"id": "jvasp-121968",
"created_at": "2022-09-04T14:38:50.339416Z",
"updated_at": "2022-09-04T14:38:50.339425Z",
"structure_string": "Nd4 H10\n1.0\n4.953096 -0.017790 -4.501186\n-0.981490 4.854910 -4.501186\n0.014607 0.017790 6.692803\nNd H\n4 10\ndirect\n0.495958 0.995958 0.499999 Nd\n0.745958 0.745958 -0.000000 Nd\n0.004043 0.504043 0.500000 Nd\n0.254043 0.254043 -0.000000 Nd\n0.375001 0.354840 0.479840 H\n0.875001 0.895160 0.520159 H\n0.645160 0.125000 0.020160 H\n0.104841 0.625000 0.979840 H\n0.375000 0.895160 0.020159 H\n0.875001 0.354840 0.979840 H\n0.645161 0.625000 0.520159 H\n0.104841 0.125000 0.479840 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 -0.000000 H\n",
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},
{
"id": "jvasp-121967",
"created_at": "2022-09-04T14:38:54.521040Z",
"updated_at": "2022-09-04T14:38:54.521064Z",
"structure_string": "La1 Mo6 S8\n1.0\n6.558537 0.013219 0.132205\n0.129834 6.557265 0.132205\n0.013457 0.013219 6.559856\nLa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.436894 0.579989 0.771820 Mo\n0.771819 0.436895 0.579990 Mo\n0.579988 0.771819 0.436895 Mo\n0.563106 0.420012 0.228182 Mo\n0.228181 0.563106 0.420012 Mo\n0.420012 0.228182 0.563107 Mo\n0.755868 0.755868 0.755869 S\n0.244133 0.244133 0.244133 S\n0.250263 0.874913 0.623639 S\n0.623639 0.250263 0.874914 S\n0.874913 0.623639 0.250264 S\n0.749738 0.125087 0.376363 S\n0.376361 0.749738 0.125088 S\n0.125087 0.376362 0.749738 S\n",
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"volume": 282.07945848595637,
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"formula_full": "La1 Mo6 S8",
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{
"id": "jvasp-121966",
"created_at": "2022-09-04T14:38:54.130825Z",
"updated_at": "2022-09-04T14:38:54.130862Z",
"structure_string": "Li6 P1 Br1 O5\n1.0\n5.082062 -0.000000 2.934130\n1.694021 4.791414 2.934130\n-0.000000 -0.000000 5.868260\nLi P Br O\n6 1 1 5\ndirect\n0.983193 0.516807 0.983193 Li\n0.516807 0.983192 0.983193 Li\n0.516807 0.516807 0.983193 Li\n0.516807 0.983192 0.516808 Li\n0.983193 0.983192 0.516808 Li\n0.983193 0.516807 0.516808 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Br\n0.824854 0.391715 0.391716 O\n0.391716 0.824854 0.391716 O\n0.391715 0.391715 0.391716 O\n0.391715 0.391715 0.824855 O\n0.750000 0.749999 0.750000 O\n",
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{
"id": "jvasp-121964",
"created_at": "2022-09-04T14:38:54.089980Z",
"updated_at": "2022-09-04T14:38:54.090006Z",
"structure_string": "Ba1 Mn2 P2 O9\n1.0\n5.088396 0.022610 0.472033\n2.675231 4.328443 0.472033\n-0.168567 -0.094472 8.515679\nBa Mn P O\n1 2 2 9\ndirect\n0.906743 0.093257 -0.000000 Ba\n0.256858 0.450763 0.616998 Mn\n0.549237 0.743141 0.383002 Mn\n0.226794 0.444327 0.254087 P\n0.555673 0.773206 0.745912 P\n0.581875 0.418125 0.500000 O\n0.039404 0.533009 0.417486 O\n0.466991 0.960595 0.582514 O\n0.359777 0.658427 0.215473 O\n0.341573 0.640223 0.784526 O\n0.999680 0.511523 0.128724 O\n0.488476 0.000322 0.871276 O\n0.897357 0.498434 0.741251 O\n0.501567 0.102643 0.258748 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:50.271273Z",
"updated_at": "2022-09-04T14:38:50.271298Z",
"structure_string": "Ba1 Ca2 Mg1 Si2 O8\n1.0\n5.448987 0.000000 0.000000\n-2.724495 4.718961 0.000000\n-0.000000 -0.000000 6.838021\nBa Ca Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.841093 Ca\n0.666667 0.333333 0.158907 Ca\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.272792 Si\n0.666667 0.333333 0.727208 Si\n0.333334 0.666667 0.509306 O\n0.666667 0.333333 0.490693 O\n0.646131 0.886572 0.174615 O\n0.113428 0.759557 0.174615 O\n0.240443 0.353870 0.174615 O\n0.353871 0.113427 0.825384 O\n0.886573 0.240443 0.825384 O\n0.759558 0.646130 0.825384 O\n",
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{
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"created_at": "2022-09-04T14:38:53.063142Z",
"updated_at": "2022-09-04T14:38:53.063161Z",
"structure_string": "Ce3 Si4 Pd4\n1.0\n4.185951 0.020951 -12.072306\n-0.106105 4.049491 -12.118315\n-0.005057 -0.020951 12.777430\nCe Si Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.645796 0.145796 0.499999 Ce\n0.354203 0.854204 0.499999 Ce\n0.804466 0.304467 0.499999 Si\n0.195532 0.695533 0.499999 Si\n0.547762 0.547763 -0.000001 Si\n0.452236 0.452237 -0.000001 Si\n0.902978 0.402979 0.499999 Pd\n0.097020 0.597021 0.499999 Pd\n0.750128 0.750129 -0.000001 Pd\n0.249871 0.249871 -0.000000 Pd\n",
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],
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"volume": 215.28270100371094,
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"formula_full": "Ce3 Si4 Pd4",
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}
]
}