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{
"id": "jvasp-113215",
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"updated_at": "2022-09-04T14:38:42.707996Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n4.824914 -0.004284 -1.459685\n-0.877193 4.964589 -0.003473\n-0.009044 0.005256 5.833576\nLi Cr Ni O\n4 3 1 8\ndirect\n0.496462 0.747731 0.871233 Li\n0.503539 0.252271 0.128769 Li\n0.501733 0.742112 0.378578 Li\n0.498268 0.257890 0.621424 Li\n0.000000 0.500000 0.000000 Cr\n0.000481 -0.000313 0.253175 Cr\n-0.000480 0.000314 0.746826 Cr\n0.000001 0.500000 0.500001 Ni\n0.223917 0.869873 0.055571 O\n0.776084 0.130129 0.944431 O\n0.229764 0.365217 0.297191 O\n0.773253 0.635859 0.182447 O\n0.230463 0.888304 0.558607 O\n0.769538 0.111698 0.441395 O\n0.226748 0.364142 0.817555 O\n0.770237 0.634784 0.702811 O\n",
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{
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"structure_string": "Be1 As1\n1.0\n3.805619 0.000000 -0.000000\n-1.902809 3.295763 0.000000\n0.000000 0.000000 2.917814\nBe As\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.333333 0.666665 0.000000 As\n",
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{
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"updated_at": "2022-09-04T14:38:42.705960Z",
"structure_string": "Pb1 Se1 O2\n1.0\n3.609225 -0.000000 -0.000000\n-0.000000 3.609225 0.000000\n-0.000000 0.000000 5.158557\nPb Se O\n1 1 2\ndirect\n0.499999 0.499999 0.519263 Pb\n0.000000 0.000000 0.033821 Se\n0.000000 0.000000 0.393595 O\n0.499999 0.499999 0.063322 O\n",
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{
"id": "jvasp-115072",
"created_at": "2022-09-04T14:38:42.703933Z",
"updated_at": "2022-09-04T14:38:42.703961Z",
"structure_string": "Mg2 P2 H2\n1.0\n4.333728 -0.000000 0.000000\n0.000000 4.333728 0.000000\n0.000000 -0.000000 5.360272\nMg P H\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.761565 P\n0.000000 0.500000 0.238435 P\n0.500000 0.000000 0.497709 H\n0.000000 0.500000 0.502290 H\n",
"nsites": 6,
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{
"id": "jvasp-116537",
"created_at": "2022-09-04T14:38:42.703818Z",
"updated_at": "2022-09-04T14:38:42.703832Z",
"structure_string": "Er14 Te4 Au4\n1.0\n8.930016 0.008684 2.225525\n8.040275 3.885775 2.225525\n-0.003912 -0.000898 17.030755\nEr Te Au\n14 4 4\ndirect\n0.001351 0.001350 0.666345 Er\n0.000000 0.000000 0.000000 Er\n0.500001 0.499999 0.500000 Er\n0.221431 0.221429 0.194037 Er\n0.425256 0.425253 0.171775 Er\n0.574747 0.574744 0.828226 Er\n0.662378 0.662375 0.018441 Er\n0.778572 0.778568 0.805964 Er\n0.810224 0.810220 0.319666 Er\n0.189779 0.189777 0.680335 Er\n0.823969 0.823965 0.531425 Er\n0.176034 0.176032 0.468575 Er\n0.998652 0.998647 0.333656 Er\n0.337625 0.337622 0.981560 Er\n0.066129 0.066129 0.150368 Te\n0.933874 0.933868 0.849633 Te\n0.365629 0.365627 0.662741 Te\n0.634373 0.634370 0.337260 Te\n0.381604 0.381602 0.399929 Au\n0.169911 0.169909 0.889359 Au\n0.830092 0.830088 0.110642 Au\n0.618399 0.618395 0.600072 Au\n",
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"elements": [
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{
"id": "jvasp-116619",
"created_at": "2022-09-04T14:38:42.703550Z",
"updated_at": "2022-09-04T14:38:42.703574Z",
"structure_string": "Ho12 In2 Co4\n1.0\n7.777421 0.031586 -2.787503\n-3.656741 6.729700 -3.098197\n0.041641 -0.031586 8.261762\nHo In Co\n12 2 4\ndirect\n0.323545 0.634889 0.311344 Ho\n0.970201 0.763631 0.206571 Ho\n0.029799 0.236369 0.793429 Ho\n0.557060 0.763630 0.793429 Ho\n0.814854 0.285656 0.100510 Ho\n0.185146 0.714344 0.899490 Ho\n0.442940 0.236370 0.206571 Ho\n0.185146 0.285656 0.470802 Ho\n0.676455 0.987801 0.311344 Ho\n0.323545 0.012199 0.688655 Ho\n0.676455 0.365111 0.688656 Ho\n0.814854 0.714344 0.529198 Ho\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.341738 0.000000 0.341738 Co\n0.114281 0.614281 0.500000 Co\n0.885718 0.385719 0.500000 Co\n0.658262 0.000000 0.658262 Co\n",
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"elements": [
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],
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"formula_full": "Ho12 In2 Co4",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-115660",
"created_at": "2022-09-04T14:38:42.699812Z",
"updated_at": "2022-09-04T14:38:42.699841Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n1.508550 0.870962 6.245926\n-1.508550 0.870962 6.245926\n-0.000000 -1.741923 6.245926\nGa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500002 Ga\n0.000000 0.000000 0.000000 Ag\n0.887421 0.887421 0.887426 O\n0.112578 0.112578 0.112579 O\n",
"nsites": 4,
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"density_atomic": 0.08123686518686883,
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"formula_full": "Ga1 Ag1 O2",
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{
"id": "jvasp-111917",
"created_at": "2022-09-04T14:38:42.695738Z",
"updated_at": "2022-09-04T14:38:42.695774Z",
"structure_string": "Li4 Mn6 Cr2 O16\n1.0\n5.696187 0.000000 0.000000\n-2.848094 4.933042 -0.000000\n-0.000000 -0.000000 9.382724\nLi Mn Cr O\n4 6 2 16\ndirect\n0.333334 0.666667 0.897275 Li\n0.000000 0.000000 0.996610 Li\n0.000000 0.000000 0.496610 Li\n0.666668 0.333333 0.397275 Li\n0.830737 0.661473 0.714190 Mn\n0.338527 0.169263 0.714190 Mn\n0.830737 0.169263 0.714190 Mn\n0.169264 0.338527 0.214190 Mn\n0.169264 0.830736 0.214190 Mn\n0.661474 0.830736 0.214190 Mn\n0.333334 0.666667 0.486216 Cr\n0.666668 0.333333 0.986216 Cr\n0.324999 0.162499 0.099689 O\n0.837502 0.675001 0.099689 O\n0.666668 0.333333 0.606688 O\n0.517887 0.035772 0.837891 O\n0.517887 0.482114 0.837891 O\n0.675002 0.837501 0.599689 O\n0.482114 0.517886 0.337891 O\n0.035772 0.517886 0.337891 O\n0.162499 0.324999 0.599689 O\n0.000000 0.000000 0.811492 O\n0.000000 0.000000 0.311492 O\n0.333334 0.666667 0.106688 O\n0.964229 0.482114 0.837891 O\n0.162500 0.837501 0.599689 O\n0.482114 0.964228 0.337891 O\n0.837502 0.162499 0.099689 O\n",
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"formula_full": "Li4 Mn6 Cr2 O16",
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{
"id": "jvasp-114640",
"created_at": "2022-09-04T14:38:42.693408Z",
"updated_at": "2022-09-04T14:38:42.693442Z",
"structure_string": "Be1 P1 Ru1\n1.0\n2.454276 0.000000 -0.000000\n-0.000000 2.454276 0.000000\n-0.000000 0.000000 7.018403\nBe P Ru\n1 1 1\ndirect\n0.000000 0.000000 0.334039 Be\n0.000000 0.000000 0.015419 P\n0.000000 0.000000 0.661729 Ru\n",
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{
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"created_at": "2022-09-04T14:38:42.693280Z",
"updated_at": "2022-09-04T14:38:42.693313Z",
"structure_string": "H10 C16 N2 O4\n1.0\n5.037053 0.339335 -0.010604\n-0.039527 5.753958 -0.046616\n0.022902 -0.017691 10.589655\nH C N O\n10 16 2 4\ndirect\n0.157172 0.936818 0.319394 H\n0.860171 0.058981 0.134871 H\n0.718741 0.620459 0.737078 H\n0.400138 0.947156 0.799103 H\n0.131224 0.420928 0.070931 H\n0.184867 0.749709 0.069810 H\n0.198825 0.260816 0.328459 H\n0.711438 0.122624 0.651252 H\n0.397714 0.451440 0.590625 H\n0.877670 0.568895 0.263417 H\n0.606567 0.021992 0.973351 C\n0.144873 0.436628 0.878793 C\n0.832264 0.964645 0.046715 C\n0.011250 0.785938 0.010778 C\n0.966457 0.652626 0.901725 C\n0.751526 0.718435 0.823520 C\n0.571813 0.903774 0.858476 C\n0.407443 0.174616 0.043697 C\n0.021843 0.295115 0.385554 C\n0.844410 0.473445 0.349649 C\n0.970156 0.158895 0.491146 C\n0.750001 0.222601 0.567152 C\n0.572534 0.408728 0.532852 C\n0.613799 0.528586 0.420390 C\n0.418741 0.680481 0.348662 C\n0.146327 0.942075 0.512370 C\n0.241671 0.854466 0.395472 N\n0.226337 0.342493 0.995566 N\n0.206371 0.349838 0.776032 O\n0.194819 0.848718 0.613991 O\n0.415916 0.654088 0.232248 O\n0.400444 0.152879 0.160091 O\n",
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{
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"created_at": "2022-09-04T14:38:42.692324Z",
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"structure_string": "Hg6 Se4 F4\n1.0\n6.919968 -0.000000 -2.446578\n-3.459984 5.992868 -2.446578\n-0.000000 -0.000000 7.339735\nHg Se F\n6 4 4\ndirect\n0.167928 0.917927 0.250000 Hg\n0.332074 0.582073 0.750000 Hg\n0.917927 0.250000 0.167927 Hg\n0.582074 0.750000 0.332073 Hg\n0.250000 0.167927 0.917926 Hg\n0.750000 0.332073 0.582073 Hg\n0.909654 0.909653 0.909652 Se\n0.590347 0.500000 -0.000000 Se\n0.000000 0.590347 0.500000 Se\n0.500000 0.000000 0.590346 Se\n0.452016 0.452016 0.452016 F\n0.047984 0.500000 0.000000 F\n0.000000 0.047984 0.500000 F\n0.500000 0.000000 0.047984 F\n",
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{
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"created_at": "2022-09-04T14:38:42.691762Z",
"updated_at": "2022-09-04T14:38:42.691796Z",
"structure_string": "Fe2 Cu1 Rh3 S8\n1.0\n5.913781 -0.019310 3.342214\n1.941192 5.586139 3.342214\n-0.027248 -0.019310 6.792825\nFe Cu Rh S\n2 1 3 8\ndirect\n0.381317 0.381318 0.381318 Fe\n0.751161 0.751162 0.751161 Fe\n0.997355 0.997356 0.997356 Cu\n0.377793 0.377794 0.868536 Rh\n0.868535 0.377794 0.377794 Rh\n0.377793 0.868536 0.377794 Rh\n0.132876 0.132877 0.132876 S\n0.141953 0.141954 0.592496 S\n0.592496 0.141954 0.141953 S\n0.141953 0.592496 0.141953 S\n0.623507 0.623507 0.623507 S\n0.617115 0.617116 0.129025 S\n0.129025 0.617116 0.617116 S\n0.617115 0.129026 0.617116 S\n",
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]
}