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{
"id": "jvasp-11469",
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"updated_at": "2022-09-04T14:38:08.373706Z",
"structure_string": "Ca1 Ni4 O8\n1.0\n5.105600 -0.017422 3.886100\n1.916073 4.732454 3.886100\n-0.025945 -0.017422 6.416250\nCa Ni O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500001 0.999999 0.500001 Ni\n0.999999 0.500000 0.500001 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.767461 0.285722 0.767460 O\n0.232539 0.232540 0.714278 O\n0.232538 0.714279 0.232539 O\n0.714277 0.232540 0.232539 O\n0.274674 0.274675 0.274674 O\n0.725326 0.725326 0.725326 O\n0.285723 0.767462 0.767461 O\n0.767462 0.767462 0.285722 O\n",
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{
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"structure_string": "Tb6 Br7\n1.0\n3.693938 -0.000000 0.676528\n1.164653 9.735233 4.063801\n-0.042924 0.193167 10.657349\nTb Br\n6 7\ndirect\n0.128087 0.299780 0.444047 Tb\n0.871914 0.700220 0.555953 Tb\n0.319408 0.002073 0.359114 Tb\n0.680594 -0.002073 0.640887 Tb\n0.774363 0.300463 0.150812 Tb\n0.225638 0.699537 0.849188 Tb\n0.500000 0.500000 0.500000 Br\n0.048244 0.169793 0.733720 Br\n0.951757 0.830207 0.266280 Br\n0.163297 0.515325 0.158082 Br\n0.836704 0.484675 0.841918 Br\n0.397660 0.152450 0.052228 Br\n0.602340 0.847550 0.947772 Br\n",
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{
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"structure_string": "Li6 U1 O6\n1.0\n5.334619 -0.003641 -1.044804\n-1.268604 5.181584 -1.044807\n-0.002859 -0.003638 5.435970\nLi U O\n6 1 6\ndirect\n0.643260 0.354273 0.002572 Li\n0.356740 0.645726 0.997428 Li\n0.645728 0.997428 0.356740 Li\n0.997429 0.356739 0.645727 Li\n0.354273 0.002571 0.643260 Li\n0.002572 0.643260 0.354273 Li\n0.000000 0.000000 0.000000 U\n0.102829 0.730798 0.728396 O\n0.897172 0.269201 0.271604 O\n0.269202 0.271602 0.897172 O\n0.271604 0.897171 0.269201 O\n0.730799 0.728396 0.102829 O\n0.728397 0.102828 0.730799 O\n",
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"volume": 150.19417124203108,
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{
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"created_at": "2022-09-04T14:38:09.952263Z",
"updated_at": "2022-09-04T14:38:09.952302Z",
"structure_string": "Co1 Cu4 O8\n1.0\n-1.439762 2.525746 -5.361042\n0.184608 -2.901418 -5.361042\n-6.305639 1.069370 -4.188628\nCo Cu O\n1 4 8\ndirect\n0.500000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.485321 0.331895 0.846574 O\n0.995602 0.319784 0.766578 O\n0.553206 0.762180 0.766579 O\n0.972331 0.832080 0.859750 O\n0.027669 0.167919 0.140250 O\n0.446794 0.237820 0.233421 O\n0.004399 0.680215 0.233421 O\n0.514680 0.668104 0.153426 O\n",
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{
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"created_at": "2022-09-04T14:38:07.660200Z",
"updated_at": "2022-09-04T14:38:07.660223Z",
"structure_string": "Ba2 Al1 V3 O7\n1.0\n3.859472 -0.000000 0.000000\n0.000000 3.923804 0.000000\n0.000000 0.000000 11.233704\nBa Al V O\n2 1 3 7\ndirect\n0.500000 0.500000 0.820303 Ba\n0.500000 0.500000 0.179696 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.646238 V\n0.000000 0.000000 0.353762 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.612111 O\n0.500000 0.000000 0.387889 O\n0.000000 0.500000 0.611933 O\n0.000000 0.500000 0.388066 O\n0.000000 0.000000 0.822662 O\n0.000000 0.000000 0.177338 O\n",
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"formula_full": "Ba2 Al1 V3 O7",
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{
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"created_at": "2022-09-04T14:38:09.966544Z",
"updated_at": "2022-09-04T14:38:09.966571Z",
"structure_string": "Sr3 V2 O8\n1.0\n5.231520 0.006570 5.366772\n2.187252 4.752344 5.366772\n0.010243 0.006570 7.494727\nSr V O\n3 2 8\ndirect\n0.798099 0.798099 0.798101 Sr\n0.201900 0.201900 0.201901 Sr\n0.000000 0.000000 0.000000 Sr\n0.593880 0.593880 0.593881 V\n0.406119 0.406119 0.406120 V\n0.731864 0.230991 0.731865 O\n0.230991 0.731864 0.731865 O\n0.731864 0.731864 0.230992 O\n0.268135 0.769008 0.268136 O\n0.769008 0.268135 0.268136 O\n0.321457 0.321456 0.321457 O\n0.678543 0.678543 0.678544 O\n0.268135 0.268135 0.769009 O\n",
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"volume": 185.85784791118968,
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{
"id": "jvasp-46693",
"created_at": "2022-09-04T14:38:07.571462Z",
"updated_at": "2022-09-04T14:38:07.571483Z",
"structure_string": "Mn5 O3 F5\n1.0\n6.271617 0.013785 0.009776\n3.086538 -5.459547 0.009776\n3.086538 -1.796140 -5.155641\nMn O F\n5 3 5\ndirect\n0.370851 0.370851 0.370850 Mn\n0.380676 0.380676 0.886141 Mn\n0.380676 0.886143 0.380674 Mn\n0.886143 0.380676 0.380674 Mn\n0.978956 0.978956 0.978953 Mn\n0.130570 0.592055 0.130569 O\n0.130570 0.130570 0.592055 O\n0.592055 0.130570 0.130569 O\n0.122300 0.122300 0.122300 F\n0.183106 0.611207 0.611205 F\n0.611206 0.611207 0.183105 F\n0.611207 0.183106 0.611205 F\n0.619031 0.619032 0.619029 F\n",
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"formula_full": "Mn5 O3 F5",
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{
"id": "jvasp-12779",
"created_at": "2022-09-04T14:38:09.974669Z",
"updated_at": "2022-09-04T14:38:09.974695Z",
"structure_string": "Rb2 In4 O7\n1.0\n2.849811 -4.936017 0.000000\n2.849811 4.936017 0.000000\n-0.000000 0.000000 7.402298\nRb In O\n2 4 7\ndirect\n0.333333 0.666667 0.000000 Rb\n0.666667 0.333333 0.000000 Rb\n0.000000 0.000000 0.723804 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.276197 In\n0.333333 0.666667 0.500000 In\n0.359395 -0.000000 0.667156 O\n0.640604 0.640604 0.667156 O\n0.359395 0.359395 0.332844 O\n-0.000000 0.640605 0.332844 O\n-0.000000 0.359395 0.667156 O\n0.000000 0.000000 0.000000 O\n0.640605 -0.000000 0.332844 O\n",
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{
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"created_at": "2022-09-04T14:38:08.266538Z",
"updated_at": "2022-09-04T14:38:08.266554Z",
"structure_string": "Mo8 P5\n1.0\n0.000000 6.598964 0.000629\n3.219544 0.000000 0.000000\n0.000000 -3.150402 -8.932809\nMo P\n8 5\ndirect\n0.994001 0.000000 0.995931 Mo\n0.763867 0.000000 0.220144 Mo\n0.210549 0.000000 0.750858 Mo\n0.640394 0.000000 0.694664 Mo\n0.199583 0.000000 0.428850 Mo\n0.603304 0.499999 0.949103 Mo\n0.391603 0.499999 0.218869 Mo\n0.871236 0.499999 0.502877 Mo\n0.575839 0.000000 0.425694 P\n0.374928 0.000000 0.018315 P\n0.938207 0.499999 0.790471 P\n0.347219 0.499999 0.623148 P\n0.021969 0.499999 0.210776 P\n",
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{
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"created_at": "2022-09-04T14:38:04.249858Z",
"updated_at": "2022-09-04T14:38:04.249892Z",
"structure_string": "Li1 Sc1 Mo3 O8\n1.0\n2.879834 -4.988019 -0.000000\n2.879834 4.988019 0.000000\n0.000000 -0.000000 4.965391\nLi Sc Mo O\n1 1 3 8\ndirect\n0.666666 0.333332 0.303300 Li\n0.333332 0.666666 0.272822 Sc\n0.293543 0.146771 0.747873 Mo\n0.853227 0.706456 0.747873 Mo\n0.853228 0.146771 0.747873 Mo\n0.666666 0.333332 0.942987 O\n0.167659 0.335319 0.989513 O\n0.664680 0.832339 0.989513 O\n0.167659 0.832340 0.989513 O\n0.000000 0.000000 0.462976 O\n0.505980 0.011960 0.517917 O\n0.988038 0.494019 0.517917 O\n0.505980 0.494019 0.517917 O\n",
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{
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"created_at": "2022-09-04T14:38:04.236790Z",
"updated_at": "2022-09-04T14:38:04.236800Z",
"structure_string": "Tb5 Br8\n1.0\n3.780344 -0.000000 0.704581\n1.697954 9.808444 1.383615\n-0.011547 -0.186178 10.555731\nTb Br\n5 8\ndirect\n0.155159 0.359738 0.329942 Tb\n0.844838 0.640261 0.670057 Tb\n0.483300 0.648304 0.385095 Tb\n0.516698 0.351696 0.614905 Tb\n0.000000 0.000000 0.000000 Tb\n0.039695 0.159656 0.760953 Br\n0.960303 0.840343 0.239047 Br\n0.709902 0.154528 0.425667 Br\n0.290096 0.845471 0.574333 Br\n0.362288 0.177702 0.097720 Br\n0.329655 0.497538 0.843150 Br\n0.670342 0.502461 0.156850 Br\n0.637709 0.822297 0.902279 Br\n",
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{
"id": "jvasp-46736",
"created_at": "2022-09-04T14:38:03.464839Z",
"updated_at": "2022-09-04T14:38:03.464875Z",
"structure_string": "Li1 Co2 P2 O8\n1.0\n2.364017 1.928358 -4.047676\n-2.364017 4.482287 -0.106554\n4.726808 2.552813 3.939400\nLi Co P O\n1 2 2 8\ndirect\n0.499527 0.499527 0.000000 Li\n-0.002706 -0.002706 -0.000000 Co\n0.503622 0.503622 0.500000 Co\n0.009186 0.489903 0.746133 P\n0.489904 0.009186 0.253868 P\n0.561848 0.699578 0.257050 O\n0.187903 0.090887 0.225724 O\n0.631073 0.115198 0.066348 O\n0.131386 0.582595 0.551562 O\n0.115198 0.631072 0.933652 O\n0.582595 0.131386 0.448438 O\n0.090887 0.187902 0.774276 O\n0.699578 0.561848 0.742950 O\n",
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]
}