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{
"id": "jvasp-52117",
"created_at": "2022-09-04T14:38:17.223066Z",
"updated_at": "2022-09-04T14:38:17.223092Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.021975 -0.015420 -0.726031\n1.029412 4.915361 0.726031\n0.007619 -0.009410 4.487898\nFe P O\n1 2 7\ndirect\n0.112243 0.112243 -0.000000 Fe\n0.263469 0.667525 0.592671 P\n0.667524 0.263469 0.407330 P\n0.550367 0.550369 0.500001 O\n0.145356 0.431351 0.728229 O\n0.073023 0.811467 0.294273 O\n0.337690 0.854245 0.818831 O\n0.811466 0.073021 0.705728 O\n0.854244 0.337690 0.181169 O\n0.431349 0.145356 0.271771 O\n",
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{
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"structure_string": "Nb2 S4 Cl4\n1.0\n5.880474 -0.000000 2.253591\n2.940237 5.602928 1.126796\n0.012120 -0.000000 6.683784\nNb S Cl\n2 4 4\ndirect\n0.870214 0.259572 0.000000 Nb\n0.129785 0.740429 0.000000 Nb\n0.846197 0.000000 0.328760 S\n0.153802 0.000000 0.671240 S\n0.346897 0.000000 0.856745 S\n0.653103 0.000000 0.143254 S\n0.015141 0.414510 0.232546 Cl\n0.570349 0.414510 0.767454 Cl\n0.984858 0.585491 0.767454 Cl\n0.429651 0.585491 0.232546 Cl\n",
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{
"id": "jvasp-34177",
"created_at": "2022-09-04T14:37:28.720794Z",
"updated_at": "2022-09-04T14:37:28.720822Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.022067 -0.015490 -0.726055\n1.029362 4.915466 0.726055\n0.007584 -0.009366 4.487798\nFe P O\n1 2 7\ndirect\n0.112245 0.112245 -0.000000 Fe\n0.263475 0.667519 0.592677 P\n0.667519 0.263476 0.407323 P\n0.550362 0.550364 0.500001 O\n0.145355 0.431347 0.728229 O\n0.073023 0.811468 0.294276 O\n0.337693 0.854246 0.818834 O\n0.811468 0.073021 0.705724 O\n0.854246 0.337694 0.181167 O\n0.431345 0.145356 0.271770 O\n",
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"formula_full": "Fe1 P2 O7",
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{
"id": "jvasp-51716",
"created_at": "2022-09-04T14:38:15.400946Z",
"updated_at": "2022-09-04T14:38:15.400972Z",
"structure_string": "Rb6 H10 Pd2\n1.0\n7.685193 -0.000000 0.000000\n-0.000000 7.685193 0.000000\n0.000000 0.000000 6.013351\nRb H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.184561 0.684560 0.500000 Rb\n0.815439 0.315439 0.500000 Rb\n0.684560 0.815439 0.500000 Rb\n0.315439 0.184561 0.500000 Rb\n0.109871 0.390128 0.193285 H\n0.890128 0.609871 0.193285 H\n0.609871 0.109871 0.193285 H\n0.390128 0.890128 0.193285 H\n0.890128 0.609871 0.806715 H\n0.609871 0.109871 0.806715 H\n0.390128 0.890128 0.806715 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.109871 0.390128 0.806715 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 18,
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{
"id": "jvasp-58367",
"created_at": "2022-09-04T14:37:13.107399Z",
"updated_at": "2022-09-04T14:37:13.107411Z",
"structure_string": "Rb4 Li4 F8\n1.0\n5.791600 -0.000000 0.546764\n2.895800 5.553491 0.273381\n0.066391 0.000000 7.835210\nRb Li F\n4 4 8\ndirect\n0.324313 0.817976 0.568482 Rb\n0.857710 0.817976 0.931517 Rb\n0.675687 0.182023 0.431518 Rb\n0.142290 0.182023 0.068482 Rb\n0.440746 0.604869 0.139206 Li\n0.559254 0.395131 0.860794 Li\n0.045616 0.395131 0.639206 Li\n0.954384 0.604869 0.360793 Li\n0.114013 0.771973 0.250000 F\n0.316869 0.366262 0.750000 F\n0.885987 0.228026 0.750000 F\n0.683131 0.633738 0.250000 F\n0.150571 0.277870 0.415114 F\n0.571560 0.277870 0.084885 F\n0.849429 0.722130 0.584885 F\n0.428440 0.722130 0.915114 F\n",
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{
"id": "jvasp-119372",
"created_at": "2022-09-04T14:38:49.368343Z",
"updated_at": "2022-09-04T14:38:49.368368Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.822957 -0.000000 0.000000\n0.000000 6.535723 0.000000\n-0.000000 -0.000000 9.676352\nLi Co Si O\n4 4 4 16\ndirect\n0.427180 0.782096 0.630868 Li\n0.572821 0.282097 0.869132 Li\n0.072821 0.217903 0.130868 Li\n0.927180 0.717903 0.369132 Li\n0.013986 0.058568 0.513401 Co\n0.986015 0.558568 0.986599 Co\n0.486014 0.941431 0.013401 Co\n0.513986 0.441432 0.486599 Co\n0.442542 0.016927 0.345701 Si\n0.557459 0.516927 0.154299 Si\n0.057459 0.983073 0.845701 Si\n0.942542 0.483073 0.654299 Si\n0.776486 0.001176 0.362898 O\n0.655271 0.514512 0.315527 O\n0.344729 0.014512 0.184473 O\n0.223515 0.501175 0.137102 O\n0.701031 0.728052 0.083268 O\n0.736201 0.349252 0.062520 O\n0.236200 0.150748 0.937480 O\n0.798970 0.271947 0.583268 O\n0.723515 -0.001176 0.862898 O\n0.844730 0.485488 0.815527 O\n0.155271 0.985487 0.684472 O\n0.276486 0.498824 0.637102 O\n0.298970 0.228053 0.416732 O\n0.763800 0.650748 0.562519 O\n0.201031 0.771947 0.916732 O\n0.263800 0.849251 0.437480 O\n",
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"formula_full": "Li4 Co4 Si4 O16",
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{
"id": "jvasp-58497",
"created_at": "2022-09-04T14:37:17.817076Z",
"updated_at": "2022-09-04T14:37:17.817100Z",
"structure_string": "Mg1 V4 S8\n1.0\n5.835551 -0.043123 4.398126\n2.168531 5.417840 4.398126\n-0.064218 -0.043123 7.307055\nMg V S\n1 4 8\ndirect\n0.499999 0.500002 0.500000 Mg\n0.500000 1.000000 0.500002 V\n0.999998 0.500001 0.500002 V\n0.500000 0.500000 0.000001 V\n0.000000 0.000000 0.000000 V\n0.756660 0.254097 0.756662 S\n0.243337 0.243339 0.745905 S\n0.243337 0.745905 0.243339 S\n0.745902 0.243339 0.243339 S\n0.257035 0.257036 0.257035 S\n0.742964 0.742966 0.742966 S\n0.254097 0.756663 0.756662 S\n0.756662 0.756663 0.254097 S\n",
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{
"id": "jvasp-46915",
"created_at": "2022-09-04T14:38:01.282798Z",
"updated_at": "2022-09-04T14:38:01.282814Z",
"structure_string": "Li2 V2 F6\n1.0\n5.267285 -0.000000 -0.000001\n2.633643 4.860185 -0.038359\n2.633644 -1.392840 4.343756\nLi V F\n2 2 6\ndirect\n0.724361 0.413459 0.137820 Li\n0.275639 0.586540 0.862181 Li\n0.310547 0.034180 0.344726 V\n0.689453 0.965819 0.655275 V\n0.506203 0.248999 0.056994 F\n0.187802 0.248999 0.755203 F\n0.192005 0.751000 0.563197 F\n0.807995 0.248999 0.436804 F\n0.812198 0.751000 0.244798 F\n0.493796 0.751000 0.943007 F\n",
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{
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"created_at": "2022-09-04T14:38:32.898420Z",
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"structure_string": "Li6 I3 N1\n1.0\n5.803674 0.026752 3.328454\n1.960144 5.462324 3.328055\n0.000365 -0.000515 6.656508\nLi I N\n6 3 1\ndirect\n0.276148 0.723851 0.129722 Li\n0.213712 0.188903 0.811152 Li\n0.129700 0.870299 0.748376 Li\n0.894784 0.105215 0.276173 Li\n0.748443 0.251556 0.894817 Li\n0.811097 0.786286 0.213767 Li\n0.262198 0.237777 0.262179 I\n0.512209 0.487790 0.512175 I\n0.762221 0.737802 0.762154 I\n0.012279 0.987720 0.012291 N\n",
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{
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"structure_string": "Sr1 B6\n1.0\n4.191240 -0.000000 0.000000\n0.000000 4.191240 -0.000000\n0.000000 -0.000000 4.191240\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202844 0.500000 0.500000 B\n0.500000 0.500000 0.797156 B\n0.500000 0.202844 0.500000 B\n0.500000 0.500000 0.202844 B\n0.500000 0.797156 0.500000 B\n0.797156 0.500000 0.500000 B\n",
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{
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"structure_string": "Mn4 Si4 O14\n1.0\n2.656087 4.098530 0.000000\n-2.656087 4.098530 0.000000\n0.000000 0.000000 12.332262\nMn Si O\n4 4 14\ndirect\n0.042912 0.957088 0.000000 Mn\n0.042912 0.957088 0.500000 Mn\n0.014504 0.928698 0.250000 Mn\n0.071302 0.985496 0.750000 Mn\n0.384795 0.298993 0.130958 Si\n0.384795 0.298993 0.369042 Si\n0.701007 0.615205 0.630958 Si\n0.701007 0.615205 0.869042 Si\n0.841604 0.243621 0.635115 O\n0.841604 0.243621 0.864885 O\n0.262140 0.176336 0.469226 O\n0.262140 0.176336 0.030774 O\n0.823664 0.737860 0.969226 O\n0.823664 0.737860 0.530774 O\n0.329423 0.755769 0.635112 O\n0.282819 0.197064 0.250000 O\n0.329423 0.755769 0.864888 O\n0.756379 0.158395 0.135115 O\n0.244231 0.670576 0.364888 O\n0.244231 0.670576 0.135112 O\n0.802936 0.717181 0.750000 O\n0.756379 0.158395 0.364885 O\n",
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"formula_full": "Mn4 Si4 O14",
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{
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"created_at": "2022-09-04T14:35:41.286057Z",
"updated_at": "2022-09-04T14:35:41.286079Z",
"structure_string": "Sr1 B6\n1.0\n4.191263 0.000000 -0.000000\n-0.000000 4.191263 0.000000\n-0.000000 0.000000 4.191263\nSr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.202845 0.500000 0.500000 B\n0.500000 0.500000 0.797154 B\n0.500000 0.500000 0.202845 B\n0.500000 0.202845 0.500000 B\n0.500000 0.797154 0.500000 B\n0.797154 0.500000 0.500000 B\n",
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}
]
}