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{
"id": "mp-559484",
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"structure_string": "Ba22 Os8 O48\n1.0\n-6.210189 6.210189 8.489802\n6.210189 -6.210189 8.489802\n6.210189 6.210189 -8.489802\nBa Os O\n22 8 48\ndirect\n0.130515 0.449357 0.265787 Ba\n0.225732 0.781963 0.028111 Ba\n0.199357 0.433570 0.818842 Ba\n0.947621 0.475732 0.943769 Ba\n0.524268 0.468037 0.471889 Ba\n0.135272 0.869485 0.318842 Ba\n0.514014 0.014014 0.500000 Ba\n0.985986 0.485986 0.500000 Ba\n0.764014 0.764014 0.000000 Ba\n0.614728 0.380515 0.181158 Ba\n0.802379 0.774268 0.556231 Ba\n0.619485 0.800643 0.234213 Ba\n0.183570 0.864728 0.734213 Ba\n0.996148 0.052379 0.528111 Ba\n0.750000 0.250000 0.500000 Ba\n0.753852 0.197621 0.971889 Ba\n0.550643 0.816430 0.681158 Ba\n0.218037 0.246148 0.443769 Ba\n0.235986 0.235986 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.566430 0.385272 0.765787 Ba\n0.531963 0.003852 0.056231 Ba\n0.375000 0.125000 0.750000 Os\n0.375000 0.625000 0.750000 Os\n0.875000 0.625000 0.750000 Os\n0.375000 0.625000 0.250000 Os\n0.875000 0.625000 0.250000 Os\n0.875000 0.125000 0.750000 Os\n0.375000 0.125000 0.250000 Os\n0.875000 0.125000 0.250000 Os\n0.761509 0.232427 0.245569 O\n0.974986 0.248986 0.746990 O\n0.202492 0.486326 0.089249 O\n0.236326 0.647077 0.783834 O\n0.265939 0.011509 0.029082 O\n0.751465 0.998474 0.023735 O\n0.988491 0.017573 0.254431 O\n0.973995 0.701357 0.463823 O\n0.218851 0.967648 0.601698 O\n0.484061 0.238491 0.470918 O\n0.977996 0.224986 0.225999 O\n0.397077 0.113243 0.910751 O\n0.384050 0.632847 0.101698 O\n0.032352 0.634050 0.251203 O\n0.986857 0.515939 0.754431 O\n0.998535 0.251526 0.476265 O\n0.772004 0.025014 0.274001 O\n0.367153 0.468851 0.751203 O\n0.489828 0.026005 0.727362 O\n0.248004 0.022004 0.246990 O\n0.767573 0.013143 0.529082 O\n0.382847 0.781149 0.748797 O\n0.763143 0.734061 0.745569 O\n0.501996 0.227996 0.253010 O\n0.513674 0.602923 0.716166 O\n0.365950 0.617153 0.398302 O\n0.886757 0.797508 0.283834 O\n0.451357 0.487534 0.227362 O\n0.775261 0.522270 0.523735 O\n0.998986 0.751996 0.774001 O\n0.982427 0.236857 0.970918 O\n0.751014 0.498004 0.725999 O\n0.001526 0.025261 0.752991 O\n0.775014 0.001014 0.753010 O\n0.272270 0.248535 0.247009 O\n0.748474 0.224739 0.747009 O\n0.776005 0.548643 0.036177 O\n0.974739 0.727730 0.976265 O\n0.260172 0.223995 0.772638 O\n0.298643 0.762466 0.272638 O\n0.352923 0.136757 0.589249 O\n0.547508 0.763674 0.410751 O\n0.717648 0.615950 0.248797 O\n0.531149 0.282352 0.898302 O\n0.477730 0.001465 0.252991 O\n0.237534 0.510172 0.536177 O\n0.863243 0.452492 0.216166 O\n0.512466 0.739828 0.963823 O\n",
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"formula_full": "Ba22 Os8 O48",
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"spacegroup": 88
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{
"id": "mp-1234034",
"created_at": "2022-09-04T14:47:12.704362Z",
"structure_string": "Mg1 Mn6 O4 F8\n1.0\n-5.463092 0.441355 -0.241929\n-0.761154 5.097690 -6.359972\n0.273840 -5.138114 -3.220475\nMg Mn O F\n1 6 4 8\ndirect\n0.998684 0.328001 0.830256 Mg\n0.421763 0.989586 0.532942 Mn\n0.675716 0.688808 0.159321 Mn\n0.495639 0.345900 0.833115 Mn\n0.947001 0.690521 0.662191 Mn\n0.000109 0.329893 0.335730 Mn\n0.012159 0.972486 0.016023 Mn\n0.799143 0.791612 0.927867 O\n0.705405 0.797795 0.469022 O\n0.752142 0.442967 0.073461 O\n0.253483 0.234286 0.598096 O\n0.756552 0.439310 0.611186 F\n0.854075 0.116528 0.281894 F\n0.791278 0.142776 0.797823 F\n0.180322 0.534246 0.857692 F\n0.327703 0.874418 0.201483 F\n0.111396 0.563380 0.404823 F\n0.230065 0.226079 0.059784 F\n0.201250 0.874739 0.722291 F\n",
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},
{
"id": "mp-1185996",
"created_at": "2022-09-04T14:47:12.992026Z",
"structure_string": "Mn1 B1 O3\n1.0\n3.397224 0.000000 0.000000\n0.000000 3.397224 0.000000\n0.000000 0.000000 3.397224\nMn B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 B\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": "mp-1181766",
"created_at": "2022-09-04T14:47:12.770840Z",
"structure_string": "Fe8 O16\n1.0\n2.941738 0.000000 0.000000\n0.000000 10.164853 0.000000\n0.000000 0.051819 10.355669\nFe O\n8 16\ndirect\n0.000000 0.836151 0.658564 Fe\n0.000000 0.644771 0.175310 Fe\n0.500000 0.327804 0.137445 Fe\n0.500000 0.157099 0.656123 Fe\n0.000000 0.163849 0.341436 Fe\n0.000000 0.355229 0.824690 Fe\n0.500000 0.672196 0.862555 Fe\n0.500000 0.842901 0.343877 Fe\n0.000000 0.794351 0.857821 O\n0.000000 0.549178 0.848496 O\n0.000000 0.840585 0.223762 O\n0.000000 0.833766 0.464158 O\n0.500000 0.285736 0.334003 O\n0.500000 0.041432 0.335597 O\n0.500000 0.357133 0.704420 O\n0.500000 0.334497 0.945173 O\n0.000000 0.205649 0.142179 O\n0.000000 0.450822 0.151504 O\n0.000000 0.159415 0.776238 O\n0.000000 0.166234 0.535842 O\n0.500000 0.714264 0.665997 O\n0.500000 0.958568 0.664403 O\n0.500000 0.642867 0.295580 O\n0.500000 0.665503 0.054827 O\n",
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{
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"structure_string": "Li1 Er2 Au1\n1.0\n0.000000 3.578349 3.578349\n3.578349 0.000000 3.578349\n3.578349 3.578349 0.000000\nLi Er Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Au\n",
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"density": 9.75655935682891,
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{
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"structure_string": "V5 N4 O1\n1.0\n-3.427632 3.427632 2.142846\n3.427632 -3.427632 2.142846\n3.427632 3.427632 -2.142846\nV N O\n5 4 1\ndirect\n0.693204 0.890483 0.583687 V\n0.890483 0.306796 0.197278 V\n0.109517 0.693204 0.802722 V\n0.306796 0.109517 0.416313 V\n0.500000 0.500000 0.000000 V\n0.201441 0.397544 0.598985 N\n0.397544 0.798559 0.196103 N\n0.602456 0.201441 0.803897 N\n0.798559 0.602456 0.401015 N\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Li4 Ti3 V2 Sn3 O16\n1.0\n3.069500 5.345179 0.000000\n-3.069500 5.345179 0.000000\n0.000000 0.094897 9.913251\nLi Ti V Sn O\n4 3 2 3 16\ndirect\n0.669684 0.669684 0.886198 Li\n0.991350 0.991350 0.995205 Li\n0.992003 0.992003 0.501407 Li\n0.335869 0.335869 0.393981 Li\n0.832454 0.832454 0.216767 Ti\n0.662962 0.167676 0.715281 Ti\n0.167676 0.662962 0.715281 Ti\n0.670571 0.670571 0.491822 V\n0.336983 0.336983 0.985197 V\n0.832973 0.338912 0.215613 Sn\n0.338912 0.832973 0.215613 Sn\n0.169086 0.169086 0.710326 Sn\n0.831460 0.315247 0.603131 O\n0.519423 0.519423 0.341680 O\n0.674810 0.674810 0.099391 O\n0.994368 0.994368 0.319394 O\n0.994214 0.994214 0.812500 O\n0.315247 0.831460 0.603131 O\n0.965344 0.527103 0.335833 O\n0.527103 0.965344 0.335833 O\n0.155797 0.155797 0.095816 O\n0.840860 0.840860 0.610686 O\n0.490561 0.037816 0.831580 O\n0.037816 0.490561 0.831580 O\n0.342388 0.342388 0.602951 O\n0.682429 0.149436 0.107312 O\n0.480989 0.480989 0.826807 O\n0.149436 0.682429 0.107312 O\n",
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{
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"structure_string": "Si2 Sb2 Mo13 O28\n1.0\n5.810769 0.113284 1.399870\n1.959287 8.717983 0.477006\n-0.028286 0.063709 12.632442\nSi Sb Mo O\n2 2 13 28\ndirect\n0.211914 0.313436 0.000130 Si\n0.790761 0.684343 0.000760 Si\n0.843672 0.998714 0.308311 Sb\n0.159585 0.000401 0.692741 Sb\n0.893609 0.622410 0.700971 Mo\n0.630818 0.351991 0.144169 Mo\n0.404583 0.377393 0.700208 Mo\n0.104231 0.376583 0.298901 Mo\n0.372799 0.645540 0.855753 Mo\n0.285673 0.999695 0.429953 Mo\n0.229202 0.646368 0.145257 Mo\n0.001206 0.998759 0.999404 Mo\n0.428310 0.999518 0.146331 Mo\n0.772360 0.352548 0.855847 Mo\n0.594420 0.622333 0.299795 Mo\n0.572957 0.998939 0.853585 Mo\n0.716189 0.999159 0.571013 Mo\n0.776150 0.387600 0.268678 O\n0.140085 0.379061 0.428738 O\n0.930434 0.348384 0.999157 O\n0.297423 0.120023 0.999717 O\n0.858041 0.618097 0.571159 O\n0.221716 0.611396 0.732946 O\n0.011597 0.100764 0.571057 O\n0.990311 0.898041 0.430288 O\n0.704505 0.877795 0.999656 O\n0.169274 0.882988 0.127276 O\n0.267968 0.376455 0.108527 O\n0.954608 0.609587 0.264865 O\n0.423172 0.897409 0.570592 O\n0.706619 0.115842 0.125068 O\n0.625465 0.620858 0.108299 O\n0.072642 0.650235 0.000957 O\n0.295900 0.882566 0.872720 O\n0.833221 0.115117 0.871408 O\n0.579295 0.101232 0.430345 O\n0.185194 0.132615 0.281475 O\n0.813495 0.866193 0.719012 O\n0.378014 0.377676 0.893370 O\n0.459479 0.131373 0.717366 O\n0.577568 0.377337 0.572169 O\n0.731935 0.620033 0.893496 O\n0.538729 0.866926 0.282983 O\n0.044892 0.388919 0.735463 O\n0.421005 0.621274 0.427593 O\n",
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{
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{
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{
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{
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]
}