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{
"id": "mp-1079460",
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{
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{
"id": "mp-754076",
"created_at": "2022-09-04T14:43:02.614652Z",
"structure_string": "Li4 Mn3 Fe3 Co2 O16\n1.0\n2.926297 5.100061 0.000000\n-2.926297 5.100061 0.000000\n0.000000 0.174594 9.378901\nLi Mn Fe Co O\n4 3 3 2 16\ndirect\n0.668697 0.668697 0.894407 Li\n0.999048 0.999048 0.997338 Li\n0.001961 0.001961 0.495466 Li\n0.334285 0.334285 0.394439 Li\n0.827335 0.827335 0.214100 Mn\n0.661903 0.168956 0.712953 Mn\n0.168956 0.661903 0.712953 Mn\n0.828538 0.339223 0.212172 Fe\n0.339223 0.828538 0.212172 Fe\n0.168396 0.168396 0.711046 Fe\n0.662904 0.662904 0.481149 Co\n0.330929 0.330929 0.984098 Co\n0.828050 0.333171 0.600042 O\n0.522528 0.522528 0.348921 O\n0.672284 0.672284 0.101476 O\n0.993085 0.993085 0.306972 O\n0.993738 0.993738 0.809190 O\n0.333171 0.828050 0.600042 O\n0.956162 0.528323 0.344944 O\n0.528323 0.956162 0.344944 O\n0.169556 0.169556 0.095126 O\n0.837656 0.837656 0.603208 O\n0.485930 0.043554 0.844156 O\n0.043554 0.485930 0.844156 O\n0.340996 0.340996 0.605437 O\n0.662232 0.162141 0.098571 O\n0.478578 0.478578 0.839798 O\n0.162141 0.662232 0.098571 O\n",
"nsites": 28,
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"formula_full": "Li4 Mn3 Fe3 Co2 O16",
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{
"id": "mp-1342342",
"created_at": "2022-09-04T14:43:02.755559Z",
"structure_string": "Li6 Co6 O5 F11\n1.0\n6.014370 0.000000 0.000000\n-3.002554 5.245756 0.000000\n-0.022068 -3.397605 9.849742\nLi Co O F\n6 6 5 11\ndirect\n0.757370 0.375797 0.872813 Li\n0.363579 0.189289 0.441631 Li\n0.000341 0.504996 0.505835 Li\n0.750860 0.865254 0.376820 Li\n0.372646 0.434980 0.193482 Li\n0.002000 0.010344 0.994508 Li\n0.395268 0.922949 0.687452 Co\n0.401399 0.686383 0.915415 Co\n0.864732 0.433927 0.188714 Co\n0.839208 0.921145 0.689739 Co\n0.383577 0.452532 0.687131 Co\n0.394464 0.969015 0.179717 Co\n0.618634 0.573921 0.813002 O\n0.599334 0.035916 0.812286 O\n0.157721 0.579949 0.809826 O\n0.608497 0.280453 0.081421 O\n0.614735 0.814787 0.570915 O\n0.130717 0.060901 0.795808 F\n0.133227 0.836592 0.570745 F\n0.601961 0.299395 0.566630 F\n0.618030 0.539652 0.308017 F\n0.147640 0.065014 0.307952 F\n0.610035 0.061614 0.311184 F\n0.135473 0.807012 0.069115 F\n0.141628 0.591676 0.294443 F\n0.127435 0.295460 0.566648 F\n0.132758 0.339295 0.068888 F\n0.596735 0.801756 0.069859 F\n",
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"formula_full": "Li6 Co6 O5 F11",
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"spacegroup": 1
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{
"id": "mp-1187132",
"created_at": "2022-09-04T14:43:02.795139Z",
"structure_string": "Sr6 Nd2\n1.0\n4.095724 -7.094001 0.000000\n4.095724 7.094001 0.000000\n0.000000 0.000000 6.587410\nSr Nd\n6 2\ndirect\n0.828166 0.171834 0.750000 Sr\n0.343668 0.171834 0.750000 Sr\n0.828166 0.656332 0.750000 Sr\n0.171834 0.828166 0.250000 Sr\n0.656332 0.828166 0.250000 Sr\n0.171834 0.343668 0.250000 Sr\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n",
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},
{
"id": "mp-1187404",
"created_at": "2022-09-04T14:43:02.803395Z",
"structure_string": "Te6 Se2\n1.0\n3.930043 -6.807034 0.000000\n3.930043 6.807034 0.000000\n0.000000 0.000000 4.302164\nTe Se\n6 2\ndirect\n0.171261 0.342521 0.250000 Te\n0.657479 0.828739 0.250000 Te\n0.171261 0.828739 0.250000 Te\n0.828739 0.657479 0.750000 Te\n0.342521 0.171261 0.750000 Te\n0.828739 0.171261 0.750000 Te\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n",
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{
"id": "mp-579102",
"created_at": "2022-09-04T14:43:02.541295Z",
"structure_string": "Sm32 O21\n1.0\n7.716248 -7.747356 0.000000\n7.716248 7.747356 0.000000\n-0.062340 0.000000 10.934264\nSm O\n32 21\ndirect\n0.755900 0.258005 0.495170 Sm\n0.988738 0.500421 0.500421 Sm\n0.500421 0.500421 0.988738 Sm\n0.491467 0.491467 0.491467 Sm\n0.987633 0.753242 0.753242 Sm\n0.744726 0.006467 0.254961 Sm\n0.006467 0.744726 0.254961 Sm\n0.996474 0.996474 0.996474 Sm\n0.753242 0.987633 0.753242 Sm\n0.254961 0.006467 0.744726 Sm\n0.744726 0.254961 0.006467 Sm\n0.495170 0.755900 0.258005 Sm\n0.999289 0.499540 0.999289 Sm\n0.503270 0.250704 0.250704 Sm\n0.992886 0.247375 0.247375 Sm\n0.250704 0.503270 0.250704 Sm\n0.495170 0.258005 0.755900 Sm\n0.247375 0.247375 0.992886 Sm\n0.755900 0.495170 0.258005 Sm\n0.250704 0.250704 0.503270 Sm\n0.254961 0.744726 0.006467 Sm\n0.006467 0.254961 0.744726 Sm\n0.500421 0.988738 0.500421 Sm\n0.753242 0.753242 0.987633 Sm\n0.247375 0.992886 0.247375 Sm\n0.258005 0.755900 0.495170 Sm\n0.756511 0.490136 0.756511 Sm\n0.258005 0.495170 0.755900 Sm\n0.756511 0.756511 0.490136 Sm\n0.499540 0.999289 0.999289 Sm\n0.490136 0.756511 0.756511 Sm\n0.999289 0.999289 0.499540 Sm\n0.874287 0.127528 0.375930 O\n0.877702 0.626841 0.372901 O\n0.873832 0.873832 0.620998 O\n0.620998 0.873832 0.873832 O\n0.874287 0.375930 0.127528 O\n0.621680 0.129281 0.129281 O\n0.129281 0.621680 0.129281 O\n0.375930 0.127528 0.874287 O\n0.129281 0.129281 0.621680 O\n0.873832 0.620998 0.873832 O\n0.372901 0.877702 0.626841 O\n0.877702 0.372901 0.626841 O\n0.371630 0.371630 0.626768 O\n0.375930 0.874287 0.127528 O\n0.371630 0.626768 0.371630 O\n0.127528 0.375930 0.874287 O\n0.127528 0.874287 0.375930 O\n0.626841 0.877702 0.372901 O\n0.372901 0.626841 0.877702 O\n0.626841 0.372901 0.877702 O\n0.626768 0.371630 0.371630 O\n",
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{
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"structure_string": "Lu4 In2 Ni4\n1.0\n7.303276 0.000000 0.000000\n0.000000 7.303276 0.000000\n0.000000 0.000000 3.550803\nLu In Ni\n4 2 4\ndirect\n0.672463 0.172463 0.500000 Lu\n0.327537 0.827537 0.500000 Lu\n0.172463 0.327537 0.500000 Lu\n0.827537 0.672463 0.500000 Lu\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.120890 0.620890 0.000000 Ni\n0.879110 0.379110 0.000000 Ni\n0.620890 0.879110 0.000000 Ni\n0.379110 0.120890 0.000000 Ni\n",
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"formula_full": "Lu4 In2 Ni4",
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{
"id": "mp-764620",
"created_at": "2022-09-04T14:43:03.036457Z",
"structure_string": "Li2 Fe8 B8 O24\n1.0\n-5.252126 0.000000 0.000000\n-0.157953 -9.148571 0.000000\n2.589047 4.479406 10.171507\nLi Fe B O\n2 8 8 24\ndirect\n0.276880 0.273115 0.892204 Li\n0.260567 0.247331 0.155396 Li\n0.009754 0.350002 0.379718 Fe\n0.263399 0.929448 0.875015 Fe\n0.488539 0.150685 0.628977 Fe\n0.237620 0.574219 0.131135 Fe\n0.773430 0.442526 0.880900 Fe\n0.519567 0.852561 0.377908 Fe\n0.983637 0.648787 0.629437 Fe\n0.731234 0.058577 0.122105 Fe\n0.029233 0.686295 0.379971 B\n0.268699 0.596751 0.871282 B\n0.472966 0.813013 0.625434 B\n0.236359 0.906114 0.135183 B\n0.521000 0.182769 0.372894 B\n0.770334 0.118205 0.884586 B\n0.979379 0.315640 0.632591 B\n0.733210 0.383179 0.119272 B\n0.027999 0.119328 0.890270 O\n0.116997 0.696773 0.825345 O\n0.149453 0.496433 0.914332 O\n0.151885 0.210139 0.649305 O\n0.025578 0.414792 0.572038 O\n0.239682 0.824591 0.665919 O\n0.262849 0.674721 0.339360 O\n0.528444 0.588838 0.875182 O\n0.608385 0.217891 0.833417 O\n0.477125 0.086493 0.435258 O\n0.343798 0.285149 0.351255 O\n0.640546 0.028405 0.931570 O\n0.355933 0.007452 0.093124 O\n0.639793 0.701261 0.631163 O\n0.533143 0.925238 0.577648 O\n0.386896 0.806439 0.181961 O\n0.470309 0.378471 0.107930 O\n0.751494 0.330834 0.678580 O\n0.748518 0.169849 0.327053 O\n0.969160 0.574655 0.428303 O\n0.861476 0.797337 0.373271 O\n0.862083 0.473610 0.073419 O\n0.891720 0.286478 0.174110 O\n0.976007 0.913126 0.130110 O\n",
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{
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],
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"volume_molar": 6.509256138955406,
"formula_full": "Ca1 Mg14 Bi1 O16",
"formula_reduced": "CaMg14BiO16",
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{
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},
{
"id": "mp-850782",
"created_at": "2022-09-04T14:43:02.562125Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.273392 0.000000 0.000000\n-0.054259 5.857312 0.000000\n-2.535630 -0.419284 12.187025\nLi Mn B O\n4 6 6 18\ndirect\n0.912151 0.180577 0.481462 Li\n0.768249 0.461056 0.847104 Li\n0.236977 0.513355 0.151939 Li\n0.566770 0.866843 0.813221 Li\n0.043275 0.027211 0.715932 Mn\n0.297564 0.286806 0.952470 Mn\n0.384909 0.361349 0.382946 Mn\n0.619647 0.638229 0.606368 Mn\n0.700390 0.704365 0.052119 Mn\n0.949106 0.971167 0.276874 Mn\n0.472640 0.145594 0.603643 B\n0.856173 0.196483 0.058683 B\n0.813996 0.475618 0.273255 B\n0.191778 0.528950 0.734073 B\n0.139169 0.795877 0.936406 B\n0.518551 0.863850 0.394487 B\n0.342978 0.028474 0.345804 O\n0.748644 0.037498 0.117268 O\n0.211872 0.149353 0.595265 O\n0.119328 0.220688 0.075364 O\n0.592435 0.286574 0.537883 O\n0.975264 0.334364 0.344257 O\n0.694901 0.338704 0.985793 O\n0.085241 0.360632 0.791701 O\n0.548647 0.465362 0.261087 O\n0.456374 0.553439 0.745037 O\n0.925803 0.622016 0.207859 O\n0.296849 0.649036 0.006707 O\n0.019656 0.680021 0.675612 O\n0.411511 0.677541 0.441402 O\n0.874104 0.779487 0.917951 O\n0.776136 0.891746 0.405951 O\n0.259677 0.953103 0.878706 O\n0.631411 0.001841 0.675189 O\n",
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"volume": 376.43163682451495,
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"formula_full": "Li4 Mn6 B6 O18",
"formula_reduced": "Li2Mn3(BO3)3",
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"updated_at": "2021-11-28T01:36:05.219000Z",
"spacegroup": 1
}
]
}