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{
"id": "jvasp-20866",
"created_at": "2022-09-04T14:37:19.392576Z",
"updated_at": "2022-09-04T14:37:19.392644Z",
"structure_string": "Be12 Si6 O24\n1.0\n7.386635 0.001189 -2.399388\n-3.302516 6.607251 -2.399388\n0.000735 0.001189 7.766559\nBe Si O\n12 6 24\ndirect\n0.127330 0.897993 0.721512 Be\n0.794228 0.568751 0.390139 Be\n0.568751 0.390140 0.794228 Be\n0.390139 0.794228 0.568751 Be\n0.431249 0.609860 0.205772 Be\n0.609860 0.205772 0.431249 Be\n0.205772 0.431249 0.609860 Be\n0.102006 0.278487 0.872669 Be\n0.872670 0.102007 0.278487 Be\n0.721513 0.127331 0.897993 Be\n0.897993 0.721513 0.127330 Be\n0.278487 0.872669 0.102006 Be\n0.461641 0.233994 0.054570 Si\n0.538358 0.766006 0.945430 Si\n0.054569 0.461641 0.233994 Si\n0.233994 0.054570 0.461641 Si\n0.766005 0.945430 0.538358 Si\n0.945430 0.538359 0.766006 Si\n0.959541 0.662440 0.628684 O\n0.706340 0.375468 0.671113 O\n0.671113 0.706341 0.375467 O\n0.375467 0.671113 0.706340 O\n0.293659 0.624532 0.328887 O\n0.294448 0.996400 0.962486 O\n0.996400 0.962486 0.294449 O\n0.962486 0.294450 0.996400 O\n0.705551 0.003600 0.037514 O\n0.003600 0.037514 0.705551 O\n0.037513 0.705550 0.003600 O\n0.583679 0.250537 0.916037 O\n0.250536 0.916037 0.583679 O\n0.916038 0.583679 0.250536 O\n0.416321 0.749463 0.083962 O\n0.749464 0.083963 0.416321 O\n0.083962 0.416321 0.749463 O\n0.337561 0.371316 0.040459 O\n0.371316 0.040459 0.337561 O\n0.040459 0.337561 0.371315 O\n0.328887 0.293660 0.624532 O\n0.628684 0.959541 0.662439 O\n0.624532 0.328887 0.293659 O\n0.662439 0.628685 0.959541 O\n",
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{
"id": "jvasp-10364",
"created_at": "2022-09-04T14:37:19.406635Z",
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"structure_string": "Mg1 Bi4 O8\n1.0\n5.468383 -0.643389 2.989421\n1.473957 5.305150 2.989421\n-0.958140 -0.643389 6.158070\nMg Bi O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500001 Bi\n0.999999 0.500000 0.500001 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.735244 0.278028 0.735245 O\n0.264754 0.264755 0.721971 O\n0.264755 0.721972 0.264754 O\n0.721971 0.264755 0.264755 O\n0.257696 0.257697 0.257696 O\n0.742304 0.742303 0.742304 O\n0.278030 0.735245 0.735244 O\n0.735246 0.735245 0.278028 O\n",
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"volume": 209.21015085824075,
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"formula_full": "Mg1 Bi4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 166
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{
"id": "jvasp-10659",
"created_at": "2022-09-04T14:37:19.416412Z",
"updated_at": "2022-09-04T14:37:19.416437Z",
"structure_string": "Tm5 Re2 O12\n1.0\n5.609601 0.000000 0.000000\n-2.804801 5.828875 -1.880725\n0.000000 -0.003647 7.422091\nTm Re O\n5 2 12\ndirect\n0.500000 -0.000000 0.500000 Tm\n0.814617 0.629234 0.177564 Tm\n0.185383 0.370765 0.822437 Tm\n0.197770 0.395540 0.359586 Tm\n0.802229 0.604459 0.640414 Tm\n0.715615 0.000000 0.000000 Re\n0.284385 0.000000 0.000000 Re\n0.094299 0.693357 0.428026 O\n0.502522 0.005044 0.791177 O\n0.412883 0.335646 0.087510 O\n0.000902 0.001806 0.181829 O\n0.400942 0.306642 0.571975 O\n0.905700 0.306642 0.571975 O\n0.599057 0.693357 0.428026 O\n0.922763 0.335646 0.087510 O\n0.587116 0.664352 0.912491 O\n0.077237 0.664352 0.912491 O\n0.999097 0.998193 0.818171 O\n0.497477 0.994954 0.208823 O\n",
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"formula_full": "Tm5 Re2 O12",
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{
"id": "jvasp-81685",
"created_at": "2022-09-04T14:37:19.421700Z",
"updated_at": "2022-09-04T14:37:19.421727Z",
"structure_string": "Al1 Sn1 Ru2\n1.0\n-10.308860 2.356897 -2.103025\n-7.342484 1.374354 1.035564\n-6.467672 3.848696 -0.479655\nAl Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Sn\n0.700962 0.041134 0.041134 Ru\n0.299036 -0.041133 -0.041133 Ru\n",
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{
"id": "jvasp-118338",
"created_at": "2022-09-04T14:38:50.872015Z",
"updated_at": "2022-09-04T14:38:50.872047Z",
"structure_string": "Ti1 O1 F1\n1.0\n2.871024 0.000000 0.000000\n0.000000 2.871024 0.000000\n0.000000 -0.000000 3.950501\nTi O F\n1 1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 F\n",
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},
{
"id": "jvasp-118480",
"created_at": "2022-09-04T14:38:50.710765Z",
"updated_at": "2022-09-04T14:38:50.710792Z",
"structure_string": "Sb2 H2 O2\n1.0\n3.836806 0.000000 -0.000000\n-0.000000 3.836806 0.000000\n0.000000 -0.000000 5.424754\nSb H O\n2 2 2\ndirect\n0.500001 0.000000 0.270026 Sb\n0.000000 0.500001 0.729973 Sb\n0.000000 0.000000 0.000000 H\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.500000 O\n",
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"spacegroup": 129
},
{
"id": "jvasp-120961",
"created_at": "2022-09-04T14:38:53.961440Z",
"updated_at": "2022-09-04T14:38:53.961466Z",
"structure_string": "Tl1 Cd1 O1\n1.0\n3.485108 -0.791302 0.000000\n-1.944978 6.623230 0.000000\n0.000000 0.000000 3.296724\nTl Cd O\n1 1 1\ndirect\n0.600918 0.602700 0.000000 Tl\n0.516286 0.023660 0.000000 Cd\n-0.117204 0.373640 0.000000 O\n",
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{
"id": "jvasp-120394",
"created_at": "2022-09-04T14:38:54.199660Z",
"updated_at": "2022-09-04T14:38:54.199686Z",
"structure_string": "Sb1 Au1 F2\n1.0\n3.427692 0.000000 -0.000000\n-0.000000 3.427692 -0.000000\n0.000000 0.000000 5.363895\nSb Au F\n1 1 2\ndirect\n0.500000 0.500000 0.564914 Sb\n0.000000 0.000000 0.901778 Au\n0.000000 0.000000 0.371336 F\n0.500000 0.500000 0.171971 F\n",
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},
{
"id": "jvasp-120740",
"created_at": "2022-09-04T14:38:54.210344Z",
"updated_at": "2022-09-04T14:38:54.210372Z",
"structure_string": "Li2 V4 F14\n1.0\n7.168145 -0.202836 1.994732\n3.693368 6.146745 1.994732\n0.042229 0.023109 5.162968\nLi V F\n2 4 14\ndirect\n0.507716 0.492285 0.250000 Li\n0.492285 0.507716 0.750000 Li\n0.660103 0.011765 0.732164 V\n0.011765 0.660103 0.232164 V\n0.339898 0.988235 0.267835 V\n0.988236 0.339898 0.767835 V\n0.148857 0.078032 0.013512 F\n0.078032 0.148857 0.513512 F\n0.578345 0.805570 0.005185 F\n0.805570 0.578344 0.505185 F\n-0.000000 0.500000 -0.000000 F\n0.500001 -0.000000 0.500000 F\n0.851144 0.921968 0.986487 F\n0.421656 0.194430 -0.005186 F\n0.364255 0.720516 0.464531 F\n0.921968 0.851144 0.486487 F\n0.279485 0.635746 0.035468 F\n0.635746 0.279485 0.535468 F\n0.194430 0.421656 0.494814 F\n0.720516 0.364254 0.964531 F\n",
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{
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"created_at": "2022-09-04T14:38:55.016504Z",
"updated_at": "2022-09-04T14:38:55.016531Z",
"structure_string": "Sm2 Mn2 Fe15\n1.0\n6.233756 0.027801 0.800117\n0.707495 6.193540 0.800117\n0.031019 0.027801 6.284817\nSm Mn Fe\n2 2 15\ndirect\n0.654465 0.654464 0.654465 Sm\n0.345537 0.345536 0.345536 Sm\n0.909197 0.909195 0.909196 Mn\n0.090805 0.090805 0.090805 Mn\n0.663927 0.663926 0.152894 Fe\n0.336075 0.847106 0.336075 Fe\n0.847108 0.336074 0.336075 Fe\n0.336075 0.336074 0.847107 Fe\n0.291958 0.708043 0.000000 Fe\n0.708043 -0.000000 0.291958 Fe\n0.291958 -0.000000 0.708043 Fe\n0.152894 0.663926 0.663926 Fe\n0.000001 0.708043 0.291958 Fe\n0.708043 0.291957 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.291957 0.708043 Fe\n0.663927 0.152893 0.663926 Fe\n",
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{
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"created_at": "2022-09-04T14:38:50.733823Z",
"updated_at": "2022-09-04T14:38:50.733851Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.087273 0.003130 -2.503311\n-1.931158 5.997825 -0.708738\n-0.036495 0.031784 6.340154\nLi Co O\n7 5 12\ndirect\n0.747918 -0.000978 0.496181 Li\n0.255403 0.325409 0.834764 Li\n0.258707 0.677694 0.164591 Li\n0.741291 0.322306 0.835407 Li\n0.252080 0.000977 0.503818 Li\n0.744595 0.674592 0.165235 Li\n0.500000 0.000000 -0.000000 Li\n0.995401 0.330674 0.329738 Co\n0.004597 0.669326 0.670260 Co\n0.500508 0.669337 0.670997 Co\n0.000000 0.000000 0.000000 Co\n0.499490 0.330663 0.329002 Co\n0.889680 0.017490 0.242376 O\n0.110318 0.982510 0.757623 O\n0.641235 0.339930 0.110394 O\n0.629729 0.651597 0.435525 O\n0.128804 0.319572 0.099149 O\n0.638659 0.982713 0.757860 O\n0.132642 0.652681 0.436882 O\n0.361339 0.017287 0.242138 O\n0.867356 0.347319 0.563116 O\n0.871194 0.680428 0.900850 O\n0.370269 0.348403 0.564474 O\n0.358763 0.660070 0.889604 O\n",
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{
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"created_at": "2022-09-04T14:38:50.804312Z",
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"structure_string": "In1 O3 F1\n1.0\n2.593161 1.497162 2.602016\n-2.593161 1.497162 2.602016\n-0.000000 -2.994325 2.602016\nIn O F\n1 3 1\ndirect\n0.001925 0.001925 0.001925 In\n0.043567 0.627641 0.627641 O\n0.627641 0.627641 0.043567 O\n0.627641 0.043567 0.627641 O\n0.459228 0.459228 0.459228 F\n",
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}
]
}