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{
"id": "jvasp-9462",
"created_at": "2022-09-04T14:38:13.687783Z",
"updated_at": "2022-09-04T14:38:13.687793Z",
"structure_string": "Mg2 Sb3 O8\n1.0\n5.499932 0.246839 -1.259609\n-0.922680 5.483821 -2.954136\n0.155705 -0.359146 5.995704\nMg Sb O\n2 3 8\ndirect\n0.585452 0.705998 0.411996 Mg\n0.414545 0.294002 0.588002 Mg\n0.500000 0.999999 -0.000001 Sb\n0.999999 0.741527 -0.000001 Sb\n0.999999 0.258473 -0.000000 Sb\n0.141184 0.401650 0.803300 O\n0.858815 0.598348 0.196697 O\n0.098670 0.893903 0.787804 O\n0.901329 0.106096 0.212192 O\n0.344897 0.372806 0.266810 O\n0.344897 0.894004 0.266810 O\n0.655103 0.105994 0.733188 O\n0.655103 0.627193 0.733187 O\n",
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{
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"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
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{
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"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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"density_atomic": 0.07345854708132625,
"volume": 176.97055708994145,
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{
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"created_at": "2022-09-04T14:38:08.474705Z",
"updated_at": "2022-09-04T14:38:08.474725Z",
"structure_string": "Co4 Ni1 O8\n1.0\n5.641689 -0.007877 -0.063721\n-2.813496 4.918846 0.079307\n-2.769411 -1.512030 4.665766\nCo Ni O\n4 1 8\ndirect\n0.000000 0.500001 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500001 0.000000 Co\n0.500000 -0.000000 0.000000 Ni\n0.535295 0.274834 0.795666 O\n0.033756 0.764271 0.787659 O\n0.518264 0.764267 0.787673 O\n0.032354 0.276862 0.787758 O\n0.967647 0.723139 0.212244 O\n0.481737 0.235734 0.212329 O\n0.966245 0.235730 0.212342 O\n0.464706 0.725167 0.204336 O\n",
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{
"id": "jvasp-9465",
"created_at": "2022-09-04T14:38:14.336358Z",
"updated_at": "2022-09-04T14:38:14.336386Z",
"structure_string": "Ba2 Y1 Tl1 Fe2 O7\n1.0\n3.908135 0.000000 0.000000\n0.000000 3.908135 -0.000000\n-0.000000 0.000000 13.025072\nBa Y Tl Fe O\n2 1 1 2 7\ndirect\n0.500001 0.500001 0.201105 Ba\n0.500001 0.500001 0.798837 Ba\n0.500001 0.500001 0.500008 Y\n0.000000 0.000000 -0.000045 Tl\n0.000000 0.000000 0.361062 Fe\n0.000000 0.000000 0.638959 Fe\n0.000000 0.000000 0.215650 O\n0.500001 0.000000 0.391940 O\n0.000000 0.500001 0.391940 O\n0.000000 0.500001 0.608108 O\n0.500001 0.500001 -0.000029 O\n0.500001 0.000000 0.608108 O\n0.000000 0.000000 0.784381 O\n",
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"density_atomic": 0.06534676686927694,
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"formula_full": "Ba2 Y1 Tl1 Fe2 O7",
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{
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"created_at": "2022-09-04T14:38:16.100284Z",
"updated_at": "2022-09-04T14:38:16.100311Z",
"structure_string": "Li6 Fe1 O4 F2\n1.0\n5.431247 0.025880 -0.011827\n2.518467 4.835593 0.017798\n2.499111 1.714214 4.724480\nLi Fe O F\n6 1 4 2\ndirect\n0.720993 0.492789 0.071499 Li\n0.491619 0.089850 0.749600 Li\n0.915177 0.301020 0.519935 Li\n0.084825 0.698978 0.480065 Li\n0.508383 0.910149 0.250400 Li\n0.279009 0.507210 0.928500 Li\n0.000000 0.000000 0.000000 Fe\n0.348097 0.791508 0.083973 O\n0.902361 0.657109 0.204619 O\n0.097641 0.342890 0.795381 O\n0.651905 0.208491 0.916027 O\n0.771124 0.116519 0.400186 F\n0.228877 0.883479 0.599814 F\n",
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"volume": 123.69981583887805,
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{
"id": "jvasp-10734",
"created_at": "2022-09-04T14:38:14.427411Z",
"updated_at": "2022-09-04T14:38:14.427427Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n3.250893 -0.000038 -0.000081\n-1.625261 7.964010 -0.052142\n-1.625178 -2.421378 7.727750\nCa Sb O\n1 4 8\ndirect\n0.522871 0.106278 0.939587 Ca\n0.739423 0.136644 0.342323 Sb\n0.620934 0.499349 0.742650 Sb\n0.335704 0.496293 0.175252 Sb\n0.188309 0.830594 0.546186 Sb\n0.532796 0.644665 0.421066 O\n0.794447 0.351401 0.237618 O\n0.165003 0.642799 0.687348 O\n0.410694 0.301887 0.519632 O\n0.113369 0.070316 0.156525 O\n0.133642 0.325948 0.941463 O\n0.835312 0.940244 0.730537 O\n0.879359 0.629686 0.129171 O\n",
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{
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"created_at": "2022-09-04T14:37:56.891185Z",
"updated_at": "2022-09-04T14:37:56.891210Z",
"structure_string": "Al12 Re1\n1.0\n6.184212 -0.000000 -2.186450\n-3.092107 5.355685 -2.186450\n-0.000000 -0.000000 6.559348\nAl Re\n12 1\ndirect\n0.496713 0.307465 0.189247 Al\n0.307464 0.810752 0.118218 Al\n0.189246 0.881781 0.692534 Al\n0.692534 0.810752 0.503286 Al\n0.810753 0.118218 0.307465 Al\n0.692534 0.189247 0.881782 Al\n0.810752 0.503286 0.692535 Al\n0.189246 0.496713 0.307465 Al\n0.307465 0.189247 0.496713 Al\n0.118218 0.307465 0.810753 Al\n0.881781 0.692534 0.189246 Al\n0.503286 0.692534 0.810753 Al\n0.000000 0.000000 0.000000 Re\n",
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{
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"created_at": "2022-09-04T14:38:10.595658Z",
"updated_at": "2022-09-04T14:38:10.595681Z",
"structure_string": "V4 Zn1 O8\n1.0\n4.929061 -0.146781 3.507750\n1.729525 4.618001 3.507750\n-0.218586 -0.146781 6.045840\nV Zn O\n4 1 8\ndirect\n0.500000 0.999999 0.500002 V\n0.999998 0.500000 0.500001 V\n0.499999 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.499999 0.500001 0.499999 Zn\n0.756845 0.267855 0.756847 O\n0.243152 0.243154 0.732146 O\n0.243152 0.732146 0.243153 O\n0.732144 0.243154 0.243154 O\n0.266613 0.266614 0.266613 O\n0.733385 0.733387 0.733387 O\n0.267854 0.756847 0.756847 O\n0.756846 0.756847 0.267855 O\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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"structure_string": "Li6 W1 O6\n1.0\n5.614662 0.015862 0.005554\n2.715562 4.914142 0.003377\n2.721086 1.612750 4.638693\nLi W O\n6 1 6\ndirect\n0.086227 0.719804 0.509643 Li\n0.490387 0.913761 0.280181 Li\n0.280236 0.490420 0.913820 Li\n0.719764 0.509579 0.086179 Li\n0.509614 0.086238 0.719819 Li\n0.913773 0.280195 0.490356 Li\n0.000000 0.000000 0.000000 W\n0.204746 0.901272 0.646976 O\n0.352971 0.795163 0.098802 O\n0.098875 0.352962 0.795247 O\n0.901126 0.647038 0.204752 O\n0.647030 0.204836 0.901197 O\n0.795255 0.098728 0.353024 O\n",
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{
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"created_at": "2022-09-04T14:38:10.268697Z",
"updated_at": "2022-09-04T14:38:10.268718Z",
"structure_string": "Ba1 Ni2 As2 O8\n1.0\n4.739554 -0.025583 6.859734\n2.120505 4.238805 6.859735\n-0.041658 -0.025587 8.337721\nBa Ni As O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.831060 0.831059 0.831060 Ni\n0.168940 0.168940 0.168941 Ni\n0.573878 0.573877 0.573878 As\n0.426122 0.426122 0.426122 As\n0.881027 0.212476 0.560970 O\n0.212476 0.560968 0.881029 O\n0.560970 0.881027 0.212476 O\n0.118973 0.787523 0.439031 O\n0.787524 0.439031 0.118972 O\n0.354039 0.354039 0.354039 O\n0.645961 0.645960 0.645961 O\n0.439030 0.118972 0.787525 O\n",
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]
}