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{
"id": "jvasp-38138",
"created_at": "2022-09-04T14:38:05.167832Z",
"updated_at": "2022-09-04T14:38:05.167855Z",
"structure_string": "Ca4 Re4 N12\n1.0\n-3.078018 5.165935 -1.625504\n0.072911 -0.008206 -7.324004\n-5.199470 -5.093293 0.818715\nCa Re N\n4 4 12\ndirect\n0.750001 0.915363 0.915364 Ca\n0.750001 0.304464 0.304465 Ca\n0.250000 0.084635 0.084636 Ca\n0.250000 0.695534 0.695535 Ca\n0.261900 0.619243 0.200119 Re\n0.238100 0.200119 0.619244 Re\n0.738100 0.380755 0.799881 Re\n0.761901 0.799880 0.380757 Re\n0.539065 0.656445 0.361117 N\n0.338364 0.384523 0.112158 N\n0.658838 0.992647 0.229035 N\n0.161637 0.112157 0.384523 N\n0.838364 0.887841 0.615477 N\n0.341163 0.007352 0.770965 N\n0.841163 0.229033 0.992647 N\n0.158837 0.770965 0.007353 N\n0.661637 0.615475 0.887842 N\n0.960936 0.361115 0.656446 N\n0.039065 0.638883 0.343554 N\n0.460936 0.343553 0.638883 N\n",
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{
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"structure_string": "Mn2 In2 O6\n1.0\n3.392946 0.000487 -0.000003\n-1.697496 2.937807 0.000011\n0.000010 -0.000044 11.868950\nMn In O\n2 2 6\ndirect\n0.333292 0.666697 0.750000 Mn\n0.666709 0.333305 0.250001 Mn\n-0.000000 0.000001 0.500000 In\n1.000001 0.000001 0.000001 In\n0.333303 0.666697 0.587136 O\n0.666698 0.333306 0.412864 O\n0.666697 0.333305 0.087136 O\n0.333303 0.666697 0.912865 O\n0.000095 0.999919 0.750000 O\n0.999907 0.000082 0.250000 O\n",
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"formula_full": "Mn2 In2 O6",
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{
"id": "jvasp-36991",
"created_at": "2022-09-04T14:38:05.135069Z",
"updated_at": "2022-09-04T14:38:05.135094Z",
"structure_string": "K1 Ca1 Br3\n1.0\n5.663488 -0.023008 -0.014217\n-0.005135 5.639005 -0.004383\n-0.012470 0.006875 5.639065\nK Ca Br\n1 1 3\ndirect\n0.929543 0.012628 0.010208 K\n0.520170 0.500574 0.498650 Ca\n0.542891 0.502735 -0.001698 Br\n0.024317 0.493837 0.491973 Br\n0.543080 0.000223 0.500870 Br\n",
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"formula_full": "K1 Ca1 Br3",
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{
"id": "jvasp-36927",
"created_at": "2022-09-04T14:38:05.114707Z",
"updated_at": "2022-09-04T14:38:05.114727Z",
"structure_string": "K1 Ge1 Br3\n1.0\n5.539197 0.048974 0.043725\n0.136854 5.538397 0.059708\n0.146015 0.131371 5.538526\nK Ge Br\n1 1 3\ndirect\n0.951246 0.962322 0.958839 K\n0.476222 0.488306 0.486413 Ge\n0.503821 0.016929 0.514898 Br\n0.004746 0.515844 0.514459 Br\n0.503966 0.516600 0.015391 Br\n",
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"volume": 169.7976908242041,
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{
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"created_at": "2022-09-04T14:38:05.017808Z",
"updated_at": "2022-09-04T14:38:05.017830Z",
"structure_string": "Co2 Ag2 O6\n1.0\n2.494159 1.440003 5.065076\n-2.494158 1.440004 5.065076\n-0.000001 -2.880006 5.065076\nCo Ag O\n2 2 6\ndirect\n0.162503 0.162503 0.162504 Co\n0.837496 0.837496 0.837499 Co\n0.363678 0.363678 0.363679 Ag\n0.636322 0.636322 0.636324 Ag\n0.040632 0.813135 0.439637 O\n0.560364 0.959368 0.186867 O\n0.186865 0.560364 0.959370 O\n0.813135 0.439635 0.040633 O\n0.439636 0.040632 0.813137 O\n0.959368 0.186864 0.560366 O\n",
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{
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"created_at": "2022-09-04T14:38:04.961232Z",
"updated_at": "2022-09-04T14:38:04.961265Z",
"structure_string": "Mg2 V2 O6\n1.0\n5.750230 0.003893 0.000000\n-3.440395 4.607476 0.000000\n-0.000000 -0.000000 5.266182\nMg V O\n2 2 6\ndirect\n0.174148 0.825852 -0.000000 Mg\n0.825851 0.174148 -0.000000 Mg\n0.674638 0.325362 0.500000 V\n0.325361 0.674639 0.500000 V\n-0.000000 0.500000 0.272003 O\n0.500000 -0.000000 0.727997 O\n0.500000 0.500000 0.500000 O\n0.500000 -0.000000 0.272003 O\n-0.000000 0.500000 0.727997 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Mg2 V2 O6",
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{
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"created_at": "2022-09-04T14:38:04.927094Z",
"updated_at": "2022-09-04T14:38:04.927108Z",
"structure_string": "Ce1 Rh3 C1\n1.0\n4.220536 0.000000 -0.000000\n0.000000 4.220536 -0.000000\n0.000000 0.000000 4.220536\nCe Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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"formula_full": "Ce1 Rh3 C1",
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"spacegroup": 221
},
{
"id": "jvasp-36951",
"created_at": "2022-09-04T14:38:19.750769Z",
"updated_at": "2022-09-04T14:38:19.750792Z",
"structure_string": "Ba1 Hf1 O3\n1.0\n4.189721 -0.000066 -0.000218\n0.000065 4.189753 -0.000163\n0.000216 0.000154 4.189731\nBa Hf O\n1 1 3\ndirect\n0.987985 -0.000012 0.001984 Ba\n0.487999 0.499994 0.501992 Hf\n0.487986 -0.000001 0.502053 O\n0.988003 0.499988 0.501973 O\n0.488029 0.500026 0.002001 O\n",
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"formula_full": "Ba1 Hf1 O3",
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},
{
"id": "jvasp-4480",
"created_at": "2022-09-04T14:38:05.221796Z",
"updated_at": "2022-09-04T14:38:05.221820Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.882171 0.000126 -2.072049\n-2.948288 5.089875 -2.071901\n-0.000177 -0.000125 6.236451\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000001 0.499999 0.499999 Ca\n0.499999 0.499999 0.499999 Si\n0.500000 0.000000 0.000000 Si\n-0.000000 0.500000 -0.000000 Si\n-0.000001 -0.000000 0.500000 Si\n0.989437 0.739243 0.250195 O\n0.739240 0.489044 0.749803 O\n0.010561 0.260756 0.749804 O\n0.260758 0.510955 0.250196 O\n0.260760 0.010567 0.749807 O\n0.239349 0.760652 -0.000001 O\n0.760653 0.760652 0.521304 O\n0.760651 0.239348 0.000001 O\n0.489046 0.739242 0.749805 O\n0.239345 0.239347 0.478695 O\n0.510952 0.260757 0.250194 O\n0.739238 0.989432 0.250192 O\n",
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{
"id": "jvasp-38592",
"created_at": "2022-09-04T14:38:05.231648Z",
"updated_at": "2022-09-04T14:38:05.231680Z",
"structure_string": "Mg1 Mn1 O3\n1.0\n3.701483 0.000000 -0.000000\n-0.000000 3.701483 0.000000\n0.000000 0.000000 3.701483\nMg Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-38125",
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"updated_at": "2022-09-04T14:38:04.995534Z",
"structure_string": "La2 Os2 N6\n1.0\n4.847262 -0.002916 2.751744\n1.600737 4.575325 2.751744\n-0.004112 -0.002916 5.573869\nLa Os N\n2 2 6\ndirect\n0.750001 0.749999 0.749999 La\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.499999 Os\n0.000000 0.000000 0.000000 Os\n0.296389 0.203611 0.750000 N\n0.750000 0.296388 0.203611 N\n0.703612 0.796388 0.249999 N\n0.203612 0.750000 0.296387 N\n0.796389 0.249999 0.703611 N\n0.250001 0.703612 0.796387 N\n",
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{
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"created_at": "2022-09-04T14:38:04.922620Z",
"updated_at": "2022-09-04T14:38:04.922646Z",
"structure_string": "In1 Sn1 Br3\n1.0\n5.845010 0.011080 -0.045632\n0.177497 5.840499 -0.152218\n0.242174 0.347542 5.829812\nIn Sn Br\n1 1 3\ndirect\n0.089590 0.091619 0.077954 In\n0.492092 0.493990 0.479798 Sn\n0.985744 0.468527 0.453925 Br\n0.466620 0.468218 0.973441 Br\n0.465950 0.987647 0.454884 Br\n",
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}
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}