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{
"id": "jvasp-19406",
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"structure_string": "Ca4 Ta2 Ag2 O12\n1.0\n0.000000 5.918131 0.079314\n7.566049 0.000000 0.000000\n0.000000 -1.237581 -5.873872\nCa Ta Ag O\n4 2 2 12\ndirect\n0.972774 0.750000 0.930153 Ca\n0.464485 0.750000 0.448345 Ca\n0.535515 0.250000 0.551655 Ca\n0.027226 0.250000 0.069847 Ca\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.830417 0.953451 0.171900 O\n0.387845 0.750000 0.056526 O\n0.169583 0.046549 0.828100 O\n0.732990 0.949727 0.633823 O\n0.267010 0.449727 0.366177 O\n0.732990 0.550274 0.633823 O\n0.267010 0.050273 0.366177 O\n0.830417 0.546549 0.171900 O\n0.612155 0.250000 0.943475 O\n0.169583 0.453451 0.828100 O\n0.893994 0.250000 0.452147 O\n0.106007 0.750000 0.547854 O\n",
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{
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"structure_string": "Li8 Fe2 O6 F2\n1.0\n3.963512 3.589931 0.000000\n-3.963512 3.589931 0.000000\n0.000000 0.000000 6.349226\nLi Fe O F\n8 2 6 2\ndirect\n0.168469 0.841555 0.498027 Li\n0.158445 0.831531 0.998028 Li\n0.580143 0.885005 0.238155 Li\n0.114995 0.419856 0.738155 Li\n0.419856 0.114995 0.738155 Li\n0.885005 0.580143 0.238155 Li\n0.831531 0.158445 0.998028 Li\n0.841555 0.168469 0.498027 Li\n0.645392 0.645392 0.777189 Fe\n0.354607 0.354607 0.277189 Fe\n0.261746 0.678329 0.250068 O\n0.321670 0.738254 0.750068 O\n0.798864 0.798864 0.011695 O\n0.201136 0.201136 0.511695 O\n0.738254 0.321670 0.750068 O\n0.678329 0.261746 0.250068 O\n0.204170 0.204170 0.988619 F\n0.795829 0.795829 0.488619 F\n",
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{
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"structure_string": "Rb2 Na4 Au2 O4\n1.0\n4.084589 0.000000 0.000000\n0.000000 5.647925 -0.000000\n0.000000 0.000000 9.867165\nRb Na Au O\n2 4 2 4\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.073908 0.229002 Na\n0.000000 0.573908 0.270998 Na\n0.500000 0.926093 0.770999 Na\n0.000000 0.426093 0.729002 Na\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.727420 0.341074 O\n0.500000 0.272581 0.658926 O\n0.000000 0.772581 0.841075 O\n0.000000 0.227420 0.158926 O\n",
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{
"id": "jvasp-90845",
"created_at": "2022-09-04T14:36:19.412493Z",
"updated_at": "2022-09-04T14:36:19.412523Z",
"structure_string": "Sr2 Mn2 Sb2 F2\n1.0\n4.265625 -0.000000 0.000000\n0.000000 4.265625 -0.000000\n-0.000000 -0.000000 9.489257\nSr Mn Sb F\n2 2 2 2\ndirect\n0.749999 0.749999 0.859018 Sr\n0.250000 0.250000 0.140982 Sr\n0.250000 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.749999 0.749999 0.325850 Sb\n0.250000 0.250000 0.674150 Sb\n0.250000 0.749999 0.000000 F\n0.749999 0.250000 0.000000 F\n",
"nsites": 8,
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],
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{
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"created_at": "2022-09-04T14:36:10.721957Z",
"updated_at": "2022-09-04T14:36:10.721983Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n-2.057078 -3.562962 0.000000\n2.057078 -3.562962 0.000000\n-0.000000 -2.375308 8.883991\nSr B Br N\n2 1 1 2\ndirect\n0.248629 0.248629 0.254111 Sr\n0.751371 0.751371 0.745889 Sr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Br\n0.449509 0.449509 0.651472 N\n0.550491 0.550491 0.348528 N\n",
"nsites": 6,
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{
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"created_at": "2022-09-04T14:36:13.762685Z",
"updated_at": "2022-09-04T14:36:13.762716Z",
"structure_string": "Rb3 H3 Se3 O12\n1.0\n-4.631904 0.003311 0.003781\n-0.077088 -7.516054 -0.003675\n2.228007 3.732364 9.636576\nRb H Se O\n3 3 3 12\ndirect\n0.997883 0.492660 0.000268 Rb\n0.427913 0.919944 0.670295 Rb\n0.570698 0.251099 0.328702 Rb\n0.457083 0.873156 0.008111 H\n0.852890 0.554277 0.685036 H\n0.147236 0.870641 0.316379 H\n0.989522 0.001218 0.997150 Se\n0.295312 0.407016 0.665143 Se\n0.706943 0.742462 0.334527 Se\n0.929833 0.848872 0.260355 O\n0.070532 0.588447 0.740264 O\n0.918456 0.691763 0.461423 O\n0.085079 0.231694 0.537813 O\n0.475646 0.908672 0.393667 O\n0.290593 0.891350 0.064303 O\n0.945629 0.187608 0.131101 O\n0.065671 0.060863 0.871439 O\n0.468027 0.346506 0.795222 O\n0.706295 0.834714 0.935652 O\n0.524728 0.513551 0.606590 O\n0.536121 0.553897 0.203775 O\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "H-O-Rb-Se",
"density": 3.4068516905959405,
"density_atomic": 0.06259586468737265,
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"formula_full": "Rb3 H3 Se3 O12",
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},
{
"id": "jvasp-57036",
"created_at": "2022-09-04T14:36:38.449904Z",
"updated_at": "2022-09-04T14:36:38.449934Z",
"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.787746 -0.000164 -0.955196\n-0.241328 3.781054 -0.957624\n0.141813 0.154967 8.549948\nSr Co Cl O\n2 1 2 2\ndirect\n0.391307 0.391305 0.782613 Sr\n0.608693 0.608697 0.217388 Sr\n-0.000001 0.000001 0.999999 Co\n0.813639 0.813634 0.627273 Cl\n0.186361 0.186367 0.372727 Cl\n0.499999 0.000001 0.999999 O\n-0.000000 0.499999 0.000000 O\n",
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],
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"density_atomic": 0.056652987314005476,
"volume": 123.55923900714578,
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"formula_full": "Sr2 Co1 Cl2 O2",
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{
"id": "jvasp-101512",
"created_at": "2022-09-04T14:36:37.533366Z",
"updated_at": "2022-09-04T14:36:37.533392Z",
"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n6.474698 -0.000000 3.738169\n2.158233 6.104404 3.738169\n-0.000000 -0.000000 7.476337\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.755967 0.244033 0.244033 Cl\n0.244033 0.244033 0.755967 Cl\n0.244033 0.755967 0.755968 Cl\n0.244033 0.755967 0.244034 Cl\n0.755967 0.244033 0.755967 Cl\n0.755967 0.755967 0.244034 Cl\n",
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{
"id": "jvasp-85795",
"created_at": "2022-09-04T14:36:15.624083Z",
"updated_at": "2022-09-04T14:36:15.624103Z",
"structure_string": "Ba2 Sn4 H4 O8\n1.0\n7.251662 0.000000 -2.341831\n0.000000 5.823445 0.000000\n-0.011742 0.000000 7.269780\nBa Sn H O\n2 4 4 8\ndirect\n0.565876 0.504147 0.811877 Ba\n0.434124 0.004147 0.188123 Ba\n0.852256 0.504404 0.353618 Sn\n0.147744 0.004403 0.646382 Sn\n0.107120 0.504376 0.911955 Sn\n0.892880 0.004376 0.088045 Sn\n0.785351 0.004303 0.703154 H\n0.214649 0.504303 0.296846 H\n0.511852 0.504636 0.365417 H\n0.488148 0.004635 0.634583 H\n0.288494 0.504579 0.207497 O\n0.276555 0.253280 0.853820 O\n0.723445 0.753280 0.146180 O\n0.723365 0.255224 0.146498 O\n0.276635 0.755224 0.853502 O\n0.632970 0.505055 0.470202 O\n0.367030 0.005055 0.529799 O\n0.711506 0.004579 0.792503 O\n",
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"structure_string": "Nb1 Ga1 Pb2 O6\n1.0\n4.914812 -0.000000 2.837568\n1.638271 4.633728 2.837568\n-0.000000 -0.000000 5.675135\nNb Ga Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ga\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750001 Pb\n0.748954 0.251046 0.251046 O\n0.251045 0.748955 0.748955 O\n0.251045 0.748955 0.251046 O\n0.748954 0.251046 0.748955 O\n0.251046 0.251046 0.748955 O\n0.748954 0.748955 0.251047 O\n",
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{
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"created_at": "2022-09-04T14:36:38.855926Z",
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"structure_string": "H8 C4 S2 N4\n1.0\n5.048797 -0.069383 -0.921220\n-1.346798 5.866082 -1.274410\n-0.072442 0.107137 6.150813\nH C S N\n8 4 2 4\ndirect\n0.037099 0.152887 0.047535 H\n0.037756 0.653033 0.547681 H\n0.751056 0.238413 0.133006 H\n0.751330 0.738196 0.632787 H\n0.282695 0.551754 0.164205 H\n0.282770 0.051950 0.664306 H\n0.282762 0.769659 0.946639 H\n0.282689 0.269557 0.446444 H\n0.927184 0.083447 0.478090 C\n0.927183 0.583468 0.978069 C\n0.973601 0.275426 0.170054 C\n0.973894 0.775430 0.670061 C\n0.584969 0.485617 0.880100 S\n0.584968 0.985525 0.380191 S\n0.074626 0.748484 0.899484 N\n0.074559 0.504772 0.143067 N\n0.074636 0.004833 0.643119 N\n0.074550 0.248433 0.399421 N\n",
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