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{
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{
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{
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{
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{
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{
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"structure_string": "Li2 Ti6 Mn2 Cr2 P12 O48\n1.0\n14.308034 -4.305126 0.000000\n14.308034 4.305126 0.000000\n13.012670 0.000000 7.343321\nLi Ti Mn Cr P O\n2 6 2 2 12 48\ndirect\n0.374578 0.374578 0.374578 Li\n0.625422 0.625422 0.625422 Li\n0.445603 0.445603 0.445603 Ti\n0.554397 0.554397 0.554397 Ti\n0.947303 0.947303 0.947303 Ti\n0.696962 0.696962 0.696962 Ti\n0.052697 0.052697 0.052697 Ti\n0.303038 0.303038 0.303038 Ti\n0.874847 0.874847 0.874847 Mn\n0.125153 0.125153 0.125153 Mn\n0.804343 0.804343 0.804343 Cr\n0.195657 0.195657 0.195657 Cr\n0.461447 0.752007 0.039722 P\n0.209063 0.790937 0.500000 P\n0.247993 0.538553 0.960278 P\n0.960278 0.247993 0.538553 P\n0.000000 0.706375 0.293625 P\n0.706375 0.293625 0.000000 P\n0.039722 0.461447 0.752007 P\n0.752007 0.039722 0.461447 P\n0.790937 0.500000 0.209063 P\n0.500000 0.209063 0.790937 P\n0.538553 0.960278 0.247993 P\n0.293625 0.000000 0.706375 P\n0.967626 0.783809 0.159587 O\n0.032374 0.840413 0.216191 O\n0.437838 0.581678 0.226661 O\n0.280572 0.656233 0.473651 O\n0.024201 0.811854 0.673044 O\n0.656233 0.473651 0.280572 O\n0.473651 0.280572 0.656233 O\n0.343767 0.719428 0.526349 O\n0.719428 0.526349 0.343767 O\n0.526349 0.343767 0.719428 O\n0.562162 0.773339 0.418322 O\n0.078819 0.730690 0.935769 O\n0.418322 0.562162 0.773339 O\n0.773339 0.418322 0.562162 O\n0.935769 0.078819 0.730690 O\n0.478410 0.829292 0.688439 O\n0.829292 0.688439 0.478410 O\n0.170708 0.521590 0.311561 O\n0.688439 0.478410 0.829292 O\n0.783809 0.159587 0.967626 O\n0.521590 0.311561 0.170708 O\n0.159587 0.967626 0.783809 O\n0.533168 0.721989 0.907294 O\n0.907294 0.533168 0.721989 O\n0.840413 0.216191 0.032374 O\n0.216191 0.032374 0.840413 O\n0.583352 0.791076 0.968669 O\n0.226661 0.437838 0.581678 O\n0.968669 0.583352 0.791076 O\n0.064231 0.269310 0.921181 O\n0.581678 0.226661 0.437838 O\n0.921181 0.064231 0.269310 O\n0.269310 0.921181 0.064231 O\n0.811854 0.673044 0.024201 O\n0.975799 0.326956 0.188146 O\n0.326956 0.188146 0.975799 O\n0.673044 0.024201 0.811854 O\n0.188146 0.975799 0.326956 O\n0.208924 0.416648 0.031331 O\n0.031331 0.208924 0.416648 O\n0.416648 0.031331 0.208924 O\n0.278011 0.466832 0.092706 O\n0.092706 0.278011 0.466832 O\n0.730690 0.935769 0.078819 O\n0.466832 0.092706 0.278011 O\n0.311561 0.170708 0.521590 O\n0.721989 0.907294 0.533168 O\n0.791076 0.968669 0.583352 O\n",
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{
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{
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{
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"structure_string": "Li4 V3 Cr3 Te2 O16\n1.0\n5.985069 0.000000 0.000000\n-2.907517 -5.230498 0.000000\n-0.049066 0.018235 -9.993103\nLi V Cr Te O\n4 3 3 2 16\ndirect\n0.335761 0.671143 0.902093 Li\n0.995645 0.995437 0.992121 Li\n0.996648 0.992153 0.492113 Li\n0.672945 0.338426 0.399568 Li\n0.656750 0.830068 0.219013 V\n0.828439 0.656057 0.718849 V\n0.829920 0.168856 0.715496 V\n0.169130 0.831902 0.215269 Cr\n0.170003 0.338288 0.215028 Cr\n0.337021 0.168441 0.714681 Cr\n0.323302 0.654767 0.494572 Te\n0.654140 0.323616 0.995714 Te\n0.155145 0.832008 0.601174 O\n0.038433 0.520576 0.339365 O\n0.336960 0.664199 0.110494 O\n0.999457 0.003032 0.309732 O\n0.002269 0.999339 0.809005 O\n0.152198 0.315004 0.595090 O\n0.502780 0.977397 0.324571 O\n0.490704 0.515973 0.327897 O\n0.313580 0.151889 0.097353 O\n0.696157 0.833079 0.605941 O\n0.512671 0.489783 0.825595 O\n0.520024 0.036562 0.840070 O\n0.663182 0.335041 0.609453 O\n0.838446 0.696068 0.108495 O\n0.973282 0.504419 0.830094 O\n0.835008 0.156778 0.098992 O\n",
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},
{
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"elements": [
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],
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"density": 0.17042661461676434,
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{
"id": "mp-754703",
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"structure_string": "Mn6 O11 F1\n1.0\n3.215900 4.336107 0.000000\n-3.215900 4.336107 0.000000\n0.000000 2.555849 6.493068\nMn O F\n6 11 1\ndirect\n0.330716 0.669284 0.000000 Mn\n0.004335 0.329622 0.832761 Mn\n0.312427 0.687573 0.500000 Mn\n0.016293 0.332611 0.324922 Mn\n0.667389 0.983707 0.675078 Mn\n0.670378 0.995665 0.167239 Mn\n0.305923 0.024746 0.834452 O\n0.562613 0.897283 0.465328 O\n0.234906 0.563394 0.794058 O\n0.897150 0.234635 0.129414 O\n0.765365 0.102850 0.870586 O\n0.436606 0.765094 0.205942 O\n0.102717 0.437387 0.534672 O\n0.023366 0.976634 0.500000 O\n0.694093 0.635256 0.835300 O\n0.364744 0.305907 0.164700 O\n0.975254 0.694077 0.165548 O\n0.635729 0.364271 0.500000 F\n",
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 4.8107360385560805,
"density_atomic": 0.09940083487473049,
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"formula_full": "Mn6 O11 F1",
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{
"id": "mp-1360929",
"created_at": "2022-09-04T14:43:05.388578Z",
"structure_string": "Mg3 Cr6 Fe4 O24\n1.0\n6.448787 -0.047040 -1.791944\n-2.296990 7.534620 -2.094022\n-0.063043 -0.004887 9.829260\nMg Cr Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.278291 0.290565 0.791017 Mg\n0.721709 0.709435 0.208983 Mg\n0.777671 0.343865 0.728113 Cr\n0.222329 0.656135 0.271887 Cr\n0.898145 0.902570 0.668227 Cr\n0.397988 0.726156 0.869499 Cr\n0.101855 0.097430 0.331773 Cr\n0.602012 0.273844 0.130501 Cr\n0.379405 0.954999 0.607992 Fe\n0.620595 0.045001 0.392008 Fe\n0.045075 0.211583 0.016161 Fe\n0.954925 0.788417 0.983839 Fe\n0.874977 0.693118 0.582802 O\n0.125023 0.306882 0.417198 O\n0.266255 0.516037 0.741604 O\n0.733745 0.483963 0.258396 O\n0.783749 0.301262 0.545373 O\n0.216251 0.698738 0.454627 O\n0.668784 0.960079 0.576082 O\n0.331216 0.039921 0.423918 O\n0.645051 0.737839 0.999313 O\n0.354949 0.262161 0.000687 O\n0.473417 0.771238 0.272754 O\n0.526583 0.228762 0.727246 O\n0.131507 0.031179 0.654051 O\n0.071441 0.050383 0.142933 O\n0.928559 0.949617 0.857067 O\n0.557235 0.133498 0.226213 O\n0.442765 0.866502 0.773787 O\n0.178883 0.441770 0.183984 O\n0.821117 0.558230 0.816016 O\n0.988607 0.282954 0.833041 O\n0.011393 0.717046 0.166959 O\n0.236195 0.782139 0.966560 O\n0.763805 0.217861 0.033440 O\n0.868493 0.968821 0.345949 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cr-Fe-Mg-O",
"density": 3.4645011540693424,
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"volume": 475.58992519883884,
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"formula_full": "Mg3 Cr6 Fe4 O24",
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"energy": -285.49728731,
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}
]
}