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{
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{
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{
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"structure_string": "In10 Si4 N12\n1.0\n5.894031 -0.686044 0.124798\n-3.849516 6.256522 0.000000\n-1.567984 -0.964750 11.683238\nIn Si N\n10 4 12\ndirect\n0.000000 0.456191 0.750000 In\n0.000000 0.543809 0.250000 In\n0.168926 0.832814 0.006430 In\n0.831074 0.663887 0.493570 In\n0.831074 0.167186 0.993570 In\n0.168926 0.336113 0.506430 In\n0.306201 0.097277 0.705046 In\n0.693799 0.791075 0.794954 In\n0.693799 0.902723 0.294954 In\n0.306201 0.208925 0.205046 In\n0.554474 0.916617 0.582643 Si\n0.445526 0.362143 0.917357 Si\n0.445526 0.083383 0.417357 Si\n0.554474 0.637857 0.082643 Si\n0.340277 0.805904 0.695607 N\n0.659723 0.465628 0.804393 N\n0.659723 0.194096 0.304393 N\n0.340277 0.534372 0.195607 N\n0.592596 0.178664 0.564761 N\n0.407404 0.586069 0.935239 N\n0.407404 0.821336 0.435239 N\n0.592596 0.413931 0.064761 N\n0.848038 0.917883 0.623401 N\n0.151962 0.069845 0.876599 N\n0.151962 0.082117 0.376599 N\n0.848038 0.930155 0.123401 N\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.864169 0.000000 0.000000\n2.919301 5.149000 0.000000\n1.650286 1.118824 9.533173\nLi Mn Co O\n9 2 5 16\ndirect\n0.874043 0.880068 0.752863 Li\n0.252929 0.746096 0.500416 Li\n0.626320 0.621646 0.244126 Li\n0.997896 0.499808 0.002402 Li\n0.371456 0.384406 0.759250 Li\n0.749991 0.250718 0.499831 Li\n0.125895 0.118233 0.245301 Li\n0.497700 0.999594 0.998531 Li\n0.497765 0.502749 0.999318 Li\n0.999301 0.005080 0.998669 Mn\n0.748287 0.745644 0.500200 Mn\n0.861817 0.386399 0.757923 Co\n0.619933 0.128870 0.242495 Co\n0.376906 0.875686 0.752253 Co\n0.253683 0.246597 0.500488 Co\n0.135757 0.620504 0.244307 Co\n0.714699 0.186944 0.874468 O\n0.091260 0.067965 0.629119 O\n0.460769 0.927005 0.384130 O\n0.823670 0.823378 0.118571 O\n0.180874 0.728023 0.876576 O\n0.579639 0.560529 0.619471 O\n0.935976 0.462891 0.379972 O\n0.319532 0.308532 0.139814 O\n0.045212 0.558733 0.619572 O\n0.431422 0.420315 0.375727 O\n0.820859 0.283197 0.119323 O\n0.169380 0.193529 0.883070 O\n0.570348 0.028360 0.618672 O\n0.919747 0.924219 0.378315 O\n0.281760 0.815817 0.125000 O\n0.665181 0.698461 0.859827 O\n",
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{
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{
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{
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"structure_string": "Rb2 Co2 Cl6\n1.0\n3.579946 -6.200649 0.000000\n3.579946 6.200649 0.000000\n0.000000 0.000000 5.893534\nRb Co Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.844057 0.155943 0.750000 Cl\n0.688114 0.844057 0.250000 Cl\n0.155943 0.311886 0.250000 Cl\n0.844057 0.688114 0.750000 Cl\n0.155943 0.844057 0.250000 Cl\n0.311886 0.155943 0.750000 Cl\n",
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},
{
"id": "mp-1101480",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.279737 5.228877 0.000000\n-6.279737 5.228877 0.000000\n0.000000 4.882179 9.040349\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.269334 0.981197 0.753561 Na\n0.981197 0.269334 0.753561 Na\n0.509962 0.757782 0.234102 Na\n0.757782 0.509962 0.234102 Na\n0.935726 0.935726 0.651257 Mn\n0.441113 0.441113 0.666470 Mn\n0.561929 0.061289 0.342827 Mn\n0.061289 0.561929 0.342827 Mn\n0.201229 0.698573 0.568888 P\n0.698573 0.201229 0.568888 P\n0.305498 0.305498 0.430202 P\n0.796541 0.796541 0.432698 P\n0.781569 0.781569 0.917272 C\n0.272202 0.272202 0.932761 C\n0.719290 0.220670 0.076986 C\n0.220670 0.719290 0.076986 C\n0.306344 0.797742 0.942899 O\n0.797742 0.306344 0.942899 O\n0.414778 0.414778 0.870853 O\n0.925286 0.925286 0.852413 O\n0.735776 0.735776 0.818690 O\n0.230877 0.230877 0.826720 O\n0.268553 0.576576 0.675306 O\n0.094973 0.788850 0.664571 O\n0.788850 0.094973 0.664571 O\n0.576576 0.268553 0.675306 O\n0.157687 0.157687 0.574296 O\n0.575591 0.073968 0.526818 O\n0.073968 0.575591 0.526818 O\n0.651543 0.651543 0.575818 O\n0.353209 0.840814 0.426856 O\n0.431957 0.431957 0.470905 O\n0.922651 0.922651 0.472129 O\n0.840814 0.353209 0.426856 O\n0.226936 0.421680 0.330204 O\n0.421680 0.226936 0.330204 O\n0.713972 0.905776 0.330438 O\n0.905776 0.713972 0.330438 O\n0.764391 0.263143 0.178909 O\n0.263143 0.764391 0.178909 O\n0.578609 0.075102 0.141614 O\n0.075102 0.578609 0.141614 O\n0.701516 0.701516 0.053608 O\n0.187790 0.187790 0.065957 O\n",
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"chemical_system": "C-Mn-Na-O-P",
"density": 2.6057249017068402,
"density_atomic": 0.07411184118459307,
"volume": 593.697299874221,
"volume_molar": 8.125747065169294,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"updated_at": "2021-11-28T01:35:17.656000Z",
"spacegroup": 8
},
{
"id": "mp-26079",
"created_at": "2022-09-04T14:40:59.771350Z",
"structure_string": "Li12 Cr8 P12 O48\n1.0\n8.727649 0.000000 0.000000\n0.000000 8.671997 0.000000\n0.000000 8.682764 12.205797\nLi Cr P O\n12 8 12 48\ndirect\n0.928534 0.341714 0.712777 Li\n0.268685 0.378841 0.814260 Li\n0.227882 0.044680 0.180943 Li\n0.727882 0.955320 0.319057 Li\n0.768685 0.621159 0.685740 Li\n0.428534 0.658286 0.787223 Li\n0.571466 0.341714 0.212777 Li\n0.231315 0.378841 0.314260 Li\n0.272118 0.044680 0.680943 Li\n0.772118 0.955320 0.819057 Li\n0.731315 0.621159 0.185740 Li\n0.071466 0.658286 0.287223 Li\n0.462630 0.631978 0.611102 Cr\n0.540885 0.133967 0.113071 Cr\n0.040885 0.866033 0.386929 Cr\n0.962630 0.368022 0.888898 Cr\n0.037370 0.631978 0.111102 Cr\n0.959115 0.133967 0.613071 Cr\n0.459115 0.866033 0.886929 Cr\n0.537370 0.368022 0.388898 Cr\n0.751694 0.541246 0.501863 P\n0.899830 0.963202 0.145607 P\n0.607572 0.251624 0.853441 P\n0.399830 0.036798 0.354393 P\n0.107572 0.748376 0.646559 P\n0.251694 0.458754 0.998137 P\n0.748306 0.541246 0.001863 P\n0.892428 0.251624 0.353441 P\n0.600170 0.963202 0.645607 P\n0.392428 0.748376 0.146559 P\n0.100170 0.036798 0.854393 P\n0.248306 0.458754 0.498137 P\n0.140795 0.628246 0.421307 O\n0.354247 0.485692 0.568964 O\n0.399364 0.910855 0.161178 O\n0.091260 0.232220 0.838076 O\n0.843163 0.725746 0.421278 O\n0.575433 0.184067 0.970313 O\n0.666464 0.572841 0.581470 O\n0.944687 0.126482 0.031396 O\n0.737249 0.981114 0.179132 O\n0.771986 0.341215 0.816060 O\n0.022313 0.940032 0.229368 O\n0.486148 0.408683 0.777875 O\n0.986148 0.591317 0.722125 O\n0.522313 0.059968 0.270632 O\n0.271986 0.658785 0.683940 O\n0.237249 0.018886 0.320868 O\n0.444687 0.873518 0.468604 O\n0.166464 0.427159 0.918530 O\n0.075433 0.815933 0.529687 O\n0.343163 0.274254 0.078722 O\n0.899364 0.089145 0.338822 O\n0.591260 0.767780 0.661924 O\n0.640795 0.371754 0.078693 O\n0.854247 0.514308 0.931036 O\n0.145753 0.485692 0.068964 O\n0.359205 0.628246 0.921307 O\n0.408740 0.232220 0.338076 O\n0.100636 0.910855 0.661178 O\n0.656837 0.725746 0.921278 O\n0.924567 0.184067 0.470313 O\n0.833536 0.572841 0.081470 O\n0.555313 0.126482 0.531396 O\n0.762751 0.981114 0.679132 O\n0.728014 0.341215 0.316060 O\n0.477687 0.940032 0.729368 O\n0.013852 0.408683 0.277875 O\n0.513852 0.591317 0.222125 O\n0.977687 0.059968 0.770632 O\n0.228014 0.658785 0.183940 O\n0.262751 0.018886 0.820868 O\n0.055313 0.873518 0.968604 O\n0.333536 0.427159 0.418530 O\n0.424567 0.815933 0.029687 O\n0.156837 0.274254 0.578722 O\n0.908740 0.767780 0.161924 O\n0.600636 0.089145 0.838822 O\n0.645753 0.514308 0.431036 O\n0.859205 0.371754 0.578693 O\n",
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"O"
],
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"volume": 923.8097331176899,
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"formula_full": "Li12 Cr8 P12 O48",
"formula_reduced": "Li3Cr2(PO4)3",
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}
]
}