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{
"id": "jvasp-49837",
"created_at": "2022-09-04T14:35:54.352477Z",
"updated_at": "2022-09-04T14:35:54.352504Z",
"structure_string": "Al8 O12\n1.0\n0.000000 5.396913 0.002284\n8.286348 0.000000 0.000000\n0.000000 -2.610614 -4.825187\nAl O\n8 12\ndirect\n0.949068 0.956929 0.232656 Al\n0.949068 0.543072 0.732657 Al\n0.533867 0.656277 0.238984 Al\n0.466133 0.156276 0.261017 Al\n0.533868 0.843724 0.738984 Al\n0.466134 0.343724 0.761018 Al\n0.050932 0.456929 0.267345 Al\n0.050933 0.043071 0.767345 Al\n0.825904 0.390378 0.894282 O\n0.749903 0.479167 0.328375 O\n0.250097 0.979167 0.171626 O\n0.680066 0.794760 0.098748 O\n0.319935 0.205240 0.901253 O\n0.319935 0.294760 0.401253 O\n0.250098 0.520833 0.671627 O\n0.174097 0.609622 0.105719 O\n0.680066 0.705240 0.598748 O\n0.174097 0.890379 0.605720 O\n0.749903 0.020833 0.828375 O\n0.825903 0.109622 0.394282 O\n",
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{
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"structure_string": "Tm2 Cu4 O8\n1.0\n-0.108049 0.000000 5.612302\n2.752084 -4.792709 2.860495\n2.752084 4.792709 2.860495\nTm Cu O\n2 4 8\ndirect\n0.750000 0.124999 0.375000 Tm\n0.250000 0.874999 0.624999 Tm\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000000 Cu\n-0.000000 0.500000 -0.000000 Cu\n-0.000000 0.499999 0.499999 Cu\n0.695943 0.172968 0.029142 O\n0.804056 0.470857 0.327031 O\n0.898049 0.274908 0.631079 O\n0.398049 0.131079 0.774908 O\n0.601950 0.868919 0.225091 O\n0.101950 0.725091 0.368919 O\n0.195943 0.529142 0.672967 O\n0.304056 0.827031 0.970856 O\n",
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{
"id": "jvasp-64917",
"created_at": "2022-09-04T14:36:00.606143Z",
"updated_at": "2022-09-04T14:36:00.606172Z",
"structure_string": "Be2 Fe1 W1\n1.0\n-1.968181 1.968181 2.784263\n1.968181 -1.968181 2.784263\n1.968181 1.968181 -2.784263\nBe Fe W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n0.499999 0.499999 0.000000 Fe\n0.749999 0.250000 0.500000 W\n",
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{
"id": "jvasp-97506",
"created_at": "2022-09-04T14:35:56.655304Z",
"updated_at": "2022-09-04T14:35:56.655321Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
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"formula_full": "Ba2 H8 O12",
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{
"id": "jvasp-42334",
"created_at": "2022-09-04T14:36:06.473753Z",
"updated_at": "2022-09-04T14:36:06.473780Z",
"structure_string": "Fe4 O2 F6\n1.0\n4.657597 -0.140116 0.000000\n-0.140116 4.657597 0.000000\n0.000000 0.000000 5.970992\nFe O F\n4 2 6\ndirect\n0.974873 0.974873 0.000000 Fe\n0.025127 0.025127 0.500000 Fe\n0.500000 0.500000 0.250000 Fe\n0.500000 0.500000 0.750000 Fe\n0.307997 0.307997 0.500000 O\n0.692003 0.692003 0.000000 O\n0.186221 0.813779 0.250000 F\n0.186221 0.813779 0.750000 F\n0.279512 0.279512 0.000000 F\n0.720488 0.720488 0.500000 F\n0.813779 0.186221 0.750000 F\n0.813779 0.186221 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:37:05.075338Z",
"updated_at": "2022-09-04T14:37:05.075370Z",
"structure_string": "Cr1 O2\n1.0\n2.677151 -0.062718 3.920404\n1.164626 2.411373 3.920404\n-0.102590 -0.062718 4.746176\nCr O\n1 2\ndirect\n0.500002 0.499999 0.499998 Cr\n0.762485 0.762482 0.762481 O\n0.237518 0.237516 0.237517 O\n",
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"spacegroup": 166
},
{
"id": "jvasp-45997",
"created_at": "2022-09-04T14:38:02.101459Z",
"updated_at": "2022-09-04T14:38:02.101482Z",
"structure_string": "Pt2 O6\n1.0\n4.849564 0.000000 0.000000\n-2.424782 1.399949 4.235879\n2.424782 -4.199846 0.000000\nPt O\n2 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499999 0.500000 0.500000 Pt\n0.250000 0.750000 0.571538 O\n0.428462 0.250000 0.071537 O\n0.071537 0.250000 0.750001 O\n0.928462 0.750000 0.250000 O\n0.571537 0.750000 0.928463 O\n0.749999 0.250000 0.428463 O\n",
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{
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"created_at": "2022-09-04T14:38:28.508447Z",
"updated_at": "2022-09-04T14:38:28.508484Z",
"structure_string": "Zn1 Ni3 C1\n1.0\n3.777894 -0.000000 -0.000000\n-0.000000 3.777894 -0.000000\n0.000000 0.000000 3.777894\nZn Ni C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:36:02.279620Z",
"updated_at": "2022-09-04T14:36:02.279646Z",
"structure_string": "V6 O7 F5\n1.0\n4.603064 0.001247 -0.026268\n0.097583 5.512425 0.077597\n0.112182 0.597698 7.657779\nV O F\n6 7 5\ndirect\n0.524674 0.833235 0.642213 V\n0.491698 0.493261 0.997081 V\n0.502860 0.185043 0.365462 V\n-0.000617 0.344781 0.674284 V\n0.973516 0.644236 0.311428 V\n0.007390 0.000169 0.006371 V\n0.192622 0.292304 0.905267 O\n0.300749 0.454627 0.235398 O\n0.299075 0.135929 0.575123 O\n0.692021 0.544225 0.765028 O\n0.796827 0.696183 0.093347 O\n0.799850 0.374871 0.439183 O\n0.711947 0.870800 0.425614 O\n0.215751 0.960328 0.235338 F\n0.793390 0.036759 0.772213 F\n0.698967 0.194904 0.113113 F\n0.295447 0.799240 0.886528 F\n0.203816 0.639098 0.557007 F\n",
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"created_at": "2022-09-04T14:36:02.227102Z",
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"structure_string": "Ce1 Al1 O3\n1.0\n3.777871 -0.000000 0.000000\n-0.000000 3.777871 0.000000\n-0.000000 -0.000000 3.777871\nCe Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Ni6 O2 F10\n1.0\n5.251125 0.086934 1.717748\n1.360798 5.072485 1.717748\n-0.014051 -0.010964 7.312484\nNi O F\n6 2 10\ndirect\n0.650394 0.650394 0.849428 Ni\n0.668161 0.668160 0.333781 Ni\n0.331841 0.331841 0.666218 Ni\n0.349607 0.349607 0.150571 Ni\n-0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.702863 0.297138 0.000000 O\n0.297139 0.702862 -0.000000 O\n0.099407 0.099408 0.701330 F\n0.437048 0.437048 0.369072 F\n0.768249 0.768248 0.037333 F\n0.900594 0.900593 0.298669 F\n0.980248 0.366009 0.329800 F\n0.231752 0.231753 0.962667 F\n0.633991 0.019753 0.670199 F\n0.366010 0.980248 0.329800 F\n0.562953 0.562953 0.630927 F\n0.019753 0.633992 0.670199 F\n",
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{
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"created_at": "2022-09-04T14:37:06.265243Z",
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"structure_string": "Na2 Si4 N6\n1.0\n4.912568 -0.000000 0.000000\n-0.000000 4.783947 -2.730841\n0.000000 -0.004063 5.508504\nNa Si N\n2 4 6\ndirect\n0.485371 0.663156 0.663155 Na\n0.985371 0.336846 0.336845 Na\n0.011949 0.016159 0.675210 Si\n0.511949 0.983843 0.324790 Si\n0.511949 0.324791 0.983841 Si\n0.011949 0.675211 0.016159 Si\n0.967682 0.771040 0.771039 N\n0.467682 0.228961 0.228961 N\n0.360025 0.655888 0.092549 N\n0.360025 0.092549 0.655887 N\n0.860025 0.907452 0.344113 N\n0.860025 0.344113 0.907451 N\n",
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}
]
}