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{
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{
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"structure_string": "Ca4 Ni2 Ir2 O12\n1.0\n5.631771 0.000000 0.000000\n0.000000 5.421897 0.000000\n0.000000 5.395281 7.739510\nCa Ni Ir O\n4 2 2 12\ndirect\n0.939504 0.232869 0.751851 Ca\n0.439504 0.767131 0.748149 Ca\n0.560496 0.232869 0.251851 Ca\n0.060496 0.767131 0.248149 Ca\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.469652 0.645355 0.257256 O\n0.193241 0.840746 0.952348 O\n0.212031 0.258997 0.552644 O\n0.712031 0.741003 0.947356 O\n0.693241 0.159254 0.547652 O\n0.969652 0.354645 0.242744 O\n0.030348 0.645355 0.757256 O\n0.306759 0.840746 0.452348 O\n0.287969 0.258997 0.052644 O\n0.806759 0.159254 0.047652 O\n0.787969 0.741003 0.447356 O\n0.530348 0.354645 0.742744 O\n",
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"formula_full": "Ca4 Ni2 Ir2 O12",
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},
{
"id": "mp-1036271",
"created_at": "2022-09-04T14:40:40.622068Z",
"structure_string": "Mg14 Mn1 Co1 O16\n1.0\n4.284185 0.000000 0.000000\n0.000000 8.544606 0.000000\n0.000000 0.000000 8.568816\nMg Mn Co O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.253116 Mg\n0.500000 0.000000 0.746884 Mg\n0.500000 0.500000 0.249996 Mg\n0.500000 0.500000 0.750004 Mg\n0.500000 0.251697 0.000000 Mg\n0.500000 0.249045 0.500000 Mg\n0.500000 0.748303 0.000000 Mg\n0.500000 0.750955 0.500000 Mg\n0.000000 0.250337 0.250988 Mg\n0.000000 0.250337 0.749012 Mg\n0.000000 0.749663 0.250988 Mg\n0.000000 0.749663 0.749012 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Co\n0.000000 0.257432 0.000000 O\n0.000000 0.252054 0.500000 O\n0.000000 0.742568 0.000000 O\n0.000000 0.747946 0.500000 O\n0.500000 0.249334 0.250123 O\n0.500000 0.249334 0.749877 O\n0.500000 0.750666 0.250123 O\n0.500000 0.750666 0.749877 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.254309 O\n0.000000 0.000000 0.745691 O\n0.000000 0.500000 0.251121 O\n0.000000 0.500000 0.748879 O\n",
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"formula_full": "Mg14 Mn1 Co1 O16",
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{
"id": "mp-770928",
"created_at": "2022-09-04T14:40:40.624779Z",
"structure_string": "Li12 Cr4 O16\n1.0\n4.106476 4.096452 0.000000\n-4.106476 4.096452 0.000000\n0.000000 3.906567 8.178538\nLi Cr O\n12 4 16\ndirect\n0.940531 0.694977 0.866916 Li\n0.694977 0.940531 0.366916 Li\n0.818623 0.562031 0.619325 Li\n0.439182 0.669517 0.875777 Li\n0.330483 0.560818 0.624223 Li\n0.437969 0.181377 0.880675 Li\n0.562031 0.818623 0.119325 Li\n0.669517 0.439182 0.375777 Li\n0.560818 0.330483 0.124223 Li\n0.181377 0.437969 0.380675 Li\n0.305023 0.059469 0.633084 Li\n0.059469 0.305023 0.133084 Li\n0.938877 0.215525 0.876496 Cr\n0.215525 0.938877 0.376496 Cr\n0.784475 0.061123 0.623504 Cr\n0.061123 0.784475 0.123504 Cr\n0.720346 0.959893 0.855264 O\n0.959893 0.720346 0.355264 O\n0.578936 0.828960 0.632813 O\n0.704604 0.415150 0.882341 O\n0.167829 0.944027 0.895140 O\n0.828960 0.578936 0.132813 O\n0.415150 0.704604 0.382341 O\n0.944027 0.167829 0.395140 O\n0.055973 0.832171 0.604860 O\n0.584850 0.295396 0.617659 O\n0.171040 0.421064 0.867187 O\n0.832171 0.055973 0.104860 O\n0.295396 0.584850 0.117659 O\n0.421064 0.171040 0.367187 O\n0.040107 0.279654 0.644736 O\n0.279654 0.040107 0.144736 O\n",
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],
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"formula_full": "Li12 Cr4 O16",
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{
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"created_at": "2022-09-04T14:40:40.631012Z",
"structure_string": "Sm1 Zn1 Cu1 P2\n1.0\n2.017445 -3.494317 0.000000\n2.017445 3.494317 0.000000\n0.000000 0.000000 6.645956\nSm Zn Cu P\n1 1 1 2\ndirect\n0.666667 0.333333 0.014859 Sm\n0.333333 0.666667 0.624933 Zn\n0.000000 0.000000 0.361846 Cu\n0.000000 0.000000 0.738974 P\n0.333333 0.666667 0.259388 P\n",
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{
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"created_at": "2022-09-04T14:40:40.637773Z",
"structure_string": "Mg2 Tl2 P2 H24 O20\n1.0\n6.142846 0.000000 0.000000\n0.000000 6.909106 0.000000\n0.000000 0.000000 11.366224\nMg Tl P H O\n2 2 2 24 20\ndirect\n0.383194 0.500000 0.878259 Mg\n0.616806 0.000000 0.378259 Mg\n0.628330 0.000000 0.733152 Tl\n0.371670 0.500000 0.233152 Tl\n0.013754 0.000000 0.012536 P\n0.986246 0.500000 0.512536 P\n0.168302 0.000000 0.342664 H\n0.603992 0.323500 0.523000 H\n0.800251 0.204800 0.189953 H\n0.826858 0.675827 0.311379 H\n0.199749 0.295200 0.689953 H\n0.603992 0.676500 0.523000 H\n0.006834 0.617806 0.000939 H\n0.800251 0.795200 0.189953 H\n0.199749 0.704800 0.689953 H\n0.173142 0.824173 0.811379 H\n0.272242 0.000000 0.211373 H\n0.643870 0.249391 0.011602 H\n0.396008 0.823500 0.023000 H\n0.173142 0.175827 0.811379 H\n0.356130 0.749391 0.511602 H\n0.993166 0.117806 0.500939 H\n0.727758 0.500000 0.711373 H\n0.006834 0.382194 0.000939 H\n0.396008 0.176500 0.023000 H\n0.831698 0.500000 0.842664 H\n0.826858 0.324173 0.311379 H\n0.993166 0.882194 0.500939 H\n0.643870 0.750609 0.011602 H\n0.356130 0.250609 0.511602 H\n0.510851 0.788816 0.496504 O\n0.693502 0.500000 0.798411 O\n0.731566 0.773183 0.269481 O\n0.892033 0.814538 0.054778 O\n0.268434 0.726817 0.769481 O\n0.107967 0.685462 0.554778 O\n0.966252 0.500000 0.376450 O\n0.246445 0.000000 0.068997 O\n0.268434 0.273183 0.769481 O\n0.489149 0.711184 0.996504 O\n0.731566 0.226817 0.269481 O\n0.510851 0.211184 0.496504 O\n0.306498 0.000000 0.298411 O\n0.753555 0.500000 0.568997 O\n0.892033 0.185462 0.054778 O\n0.065626 0.500000 0.959044 O\n0.033748 0.000000 0.876450 O\n0.107967 0.314538 0.554778 O\n0.934374 0.000000 0.459044 O\n0.489149 0.288816 0.996504 O\n",
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{
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{
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{
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}