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{
"id": "jvasp-103035",
"created_at": "2022-09-04T14:36:34.042066Z",
"updated_at": "2022-09-04T14:36:34.042087Z",
"structure_string": "Tm2 Ga2 Au2\n1.0\n4.468791 0.019204 3.437337\n2.244797 3.864111 3.437337\n-0.010577 -0.006118 6.995608\nTm Ga Au\n2 2 2\ndirect\n0.462717 0.462716 0.297897 Tm\n0.537284 0.537283 0.702105 Tm\n0.156731 0.156730 0.896222 Ga\n0.843270 0.843268 0.103780 Ga\n0.822720 0.822718 0.711024 Au\n0.177280 0.177280 0.288978 Au\n",
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{
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"structure_string": "Yb1 Ga4\n1.0\n2.694041 3.040473 -1.487697\n2.694041 -3.040473 -1.487697\n0.026361 0.000000 -6.052864\nYb Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.584351 0.584351 0.770558 Ga\n0.415648 0.415648 0.229443 Ga\n0.225253 0.774747 0.500000 Ga\n0.774747 0.225253 0.500000 Ga\n",
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{
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"structure_string": "Li4 V2 O4 F2\n1.0\n2.875036 0.000016 -0.000358\n-0.000108 5.067439 -0.003087\n-1.436820 -2.440979 7.161479\nLi V O F\n4 2 4 2\ndirect\n0.171947 0.503029 0.343999 Li\n0.829430 0.477229 0.658705 Li\n0.337376 0.022779 0.674626 Li\n0.994631 -0.003027 0.989336 Li\n0.662750 0.025328 0.325493 V\n0.503941 0.474670 0.007839 V\n0.083318 0.749999 0.166667 O\n0.583358 0.249997 0.166665 O\n0.244591 0.238116 0.489166 O\n0.922086 0.261883 0.844167 O\n0.749765 0.761446 0.499632 F\n0.416808 0.738552 0.833702 F\n",
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"density_atomic": 0.11503970116383024,
"volume": 104.3118147787134,
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-99588",
"created_at": "2022-09-04T14:36:33.990966Z",
"updated_at": "2022-09-04T14:36:33.990987Z",
"structure_string": "Li1 Co1 C2 O6\n1.0\n4.318944 -0.225132 1.676964\n1.639446 4.002022 1.676964\n-0.089603 -0.056798 5.890433\nLi Co C O\n1 1 2 6\ndirect\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.557276 0.557276 0.212467 C\n0.442725 0.442724 0.787531 C\n0.240324 0.687427 0.271566 O\n0.312574 0.759676 0.728432 O\n0.734720 0.734720 0.096712 O\n0.265281 0.265279 0.903286 O\n0.687427 0.240324 0.271566 O\n0.759677 0.312573 0.728432 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "C-Co-Li-O",
"density": 2.9432451838354123,
"density_atomic": 0.09534911277042447,
"volume": 104.8777456805221,
"volume_molar": 6.31588547079586,
"formula_full": "Li1 Co1 C2 O6",
"formula_reduced": "LiCo(CO3)2",
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{
"id": "jvasp-47547",
"created_at": "2022-09-04T14:36:34.041610Z",
"updated_at": "2022-09-04T14:36:34.041632Z",
"structure_string": "Li3 Fe2 Co1 O6\n1.0\n2.834744 0.001985 -0.001195\n-0.004201 5.710417 0.023395\n-1.414336 -1.513720 6.027681\nLi Fe Co O\n3 2 1 6\ndirect\n0.663591 0.334803 0.329175 Li\n0.334035 0.661421 0.670317 Li\n-0.001091 0.998116 0.999760 Li\n0.667565 0.836165 0.337173 Fe\n0.330103 0.160158 0.662424 Fe\n0.998848 0.498161 -0.000206 Co\n0.507192 0.732409 0.016424 O\n0.159393 0.599926 0.320881 O\n0.828118 0.925125 0.658464 O\n0.169550 0.071194 0.341128 O\n0.838266 0.396394 0.678714 O\n0.490516 0.263917 0.983170 O\n",
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{
"id": "jvasp-99038",
"created_at": "2022-09-04T14:36:35.165674Z",
"updated_at": "2022-09-04T14:36:35.165701Z",
"structure_string": "Th2 Zr4 F24\n1.0\n6.983886 -0.000286 3.743839\n3.635526 7.255440 1.468997\n0.001647 0.000025 8.247207\nTh Zr F\n2 4 24\ndirect\n0.000000 0.777940 0.222060 Th\n0.000000 0.222060 0.777940 Th\n0.430248 0.188387 0.188387 Zr\n0.569753 0.811613 0.811613 Zr\n0.774129 0.350893 0.350893 Zr\n0.225872 0.649107 0.649107 Zr\n0.663740 0.938757 0.218840 F\n0.336262 0.781160 0.061243 F\n0.336261 0.061243 0.781160 F\n0.663740 0.218840 0.938757 F\n0.888639 0.357586 0.066417 F\n0.111362 0.933584 0.642414 F\n0.111362 0.642414 0.933584 F\n0.888639 0.066416 0.357586 F\n0.426557 0.713140 0.713140 F\n0.866053 0.559871 0.307991 F\n0.719232 0.832533 0.534638 F\n0.719232 0.534638 0.832533 F\n0.280769 0.167467 0.465362 F\n0.500001 0.387330 0.612671 F\n0.500001 0.612671 0.387329 F\n0.500000 -0.000000 -0.000000 F\n0.000000 0.000000 0.000000 F\n0.139622 0.221682 0.221682 F\n0.860379 0.778318 0.778318 F\n0.866053 0.307991 0.559871 F\n0.133949 0.440129 0.692009 F\n0.133949 0.692009 0.440129 F\n0.280770 0.465362 0.167467 F\n0.573445 0.286860 0.286860 F\n",
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"volume": 417.85951403884854,
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{
"id": "jvasp-101461",
"created_at": "2022-09-04T14:36:35.226867Z",
"updated_at": "2022-09-04T14:36:35.226888Z",
"structure_string": "Ho2 Ga2 Au2\n1.0\n4.490332 0.020084 3.458456\n2.257559 3.881611 3.458456\n0.000233 0.000135 7.069200\nHo Ga Au\n2 2 2\ndirect\n0.537243 0.537241 0.701841 Ho\n0.462757 0.462756 0.298161 Ho\n0.843284 0.843282 0.103484 Ga\n0.156716 0.156715 0.896518 Ga\n0.177285 0.177284 0.287892 Au\n0.822715 0.822713 0.712110 Au\n",
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"elements": [
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},
{
"id": "jvasp-100865",
"created_at": "2022-09-04T14:36:34.386732Z",
"updated_at": "2022-09-04T14:36:34.386756Z",
"structure_string": "Mn2 Fe1 O6\n1.0\n6.112966 -0.025254 1.123227\n5.452868 2.763190 1.123227\n-0.052252 -0.012369 5.518863\nMn Fe O\n2 1 6\ndirect\n0.166331 0.166331 0.667907 Mn\n0.833669 0.833671 0.332094 Mn\n0.500000 0.500001 0.000000 Fe\n0.657666 0.657666 0.898763 O\n0.325768 0.325768 0.565282 O\n0.342334 0.342335 0.101237 O\n0.993016 0.993018 0.226108 O\n0.006984 0.006984 0.773892 O\n0.674232 0.674233 0.434718 O\n",
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"volume": 94.15350781344299,
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{
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"created_at": "2022-09-04T14:36:34.473583Z",
"updated_at": "2022-09-04T14:36:34.473610Z",
"structure_string": "V3 Te6\n1.0\n3.616350 0.000000 0.000000\n-1.808175 6.822043 -2.494919\n0.000000 -0.061163 9.234867\nV Te\n3 6\ndirect\n0.000000 0.000000 0.000000 V\n0.358455 0.716909 0.704707 V\n0.641546 0.283091 0.295294 V\n0.355650 0.711297 0.982265 Te\n0.644352 0.288703 0.017735 Te\n0.706126 0.412250 0.620546 Te\n0.293875 0.587750 0.379454 Te\n0.010234 0.020467 0.304641 Te\n0.989768 0.979533 0.695359 Te\n",
"nsites": 9,
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"formula_full": "V3 Te6",
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{
"id": "jvasp-100270",
"created_at": "2022-09-04T14:36:35.125697Z",
"updated_at": "2022-09-04T14:36:35.125725Z",
"structure_string": "Tb4 Co2 Si4\n1.0\n5.027824 0.000090 2.564525\n3.311862 3.782935 2.564525\n0.019499 0.008845 10.046327\nTb Co Si\n4 2 4\ndirect\n0.001834 0.001833 0.328238 Tb\n-0.001833 -0.001835 0.671762 Tb\n0.813689 0.813688 0.105000 Tb\n0.186312 0.186310 0.895000 Tb\n0.726637 0.726635 0.621536 Co\n0.273364 0.273362 0.378464 Co\n0.654853 0.654852 0.432729 Si\n0.345147 0.345146 0.567271 Si\n0.504891 0.504890 0.127164 Si\n0.495110 0.495107 0.872835 Si\n",
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{
"id": "jvasp-92684",
"created_at": "2022-09-04T14:36:34.561952Z",
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"structure_string": "Sn1 N2 F2\n1.0\n0.000000 6.852370 -0.000000\n-0.826482 -0.000000 3.587778\n4.763222 -3.426184 -1.798314\nSn N F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.455248 0.821195 0.910495 N\n0.544753 0.178806 0.089505 N\n0.164980 0.753318 0.329958 F\n0.835021 0.246684 0.670042 F\n",
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{
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"updated_at": "2022-09-04T14:36:35.536001Z",
"structure_string": "K5 Sb4\n1.0\n6.317481 -0.027912 2.301736\n3.970938 4.913552 2.301736\n-0.003529 -0.001676 11.321513\nK Sb\n5 4\ndirect\n0.096172 0.096172 0.110810 K\n0.898363 0.898361 0.893039 K\n0.750062 0.750061 0.336201 K\n0.244338 0.244337 0.667593 K\n0.996990 0.996989 0.502051 K\n0.451102 0.451101 0.328516 Sb\n0.543419 0.543418 0.675292 Sb\n0.388120 0.388120 0.111097 Sb\n0.606437 0.606436 0.892703 Sb\n",
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}
]
}