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{
"id": "mp-758525",
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"structure_string": "Li1 Mn3 P4 O16\n1.0\n5.910010 0.000000 0.000000\n0.000000 4.806047 0.000000\n0.000000 0.155209 9.851996\nLi Mn P O\n1 3 4 16\ndirect\n0.500000 0.955861 0.729609 Li\n0.000000 0.064181 0.279328 Mn\n0.000000 0.465212 0.775381 Mn\n0.500000 0.551106 0.214679 Mn\n0.500000 0.081443 0.402982 P\n0.500000 0.420596 0.907344 P\n0.000000 0.592698 0.091417 P\n0.000000 0.902910 0.600083 P\n0.500000 0.134127 0.551465 O\n0.298198 0.234493 0.325424 O\n0.701802 0.234493 0.325424 O\n0.000000 0.217502 0.622999 O\n0.000000 0.275031 0.111461 O\n0.500000 0.322390 0.059325 O\n0.289688 0.287227 0.836139 O\n0.710312 0.287227 0.836139 O\n0.000000 0.673008 0.939996 O\n0.797638 0.734614 0.166319 O\n0.202362 0.734614 0.166319 O\n0.500000 0.734891 0.897079 O\n0.500000 0.767129 0.375210 O\n0.802995 0.741024 0.672406 O\n0.197005 0.741024 0.672406 O\n0.000000 0.853082 0.445951 O\n",
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{
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"structure_string": "Li1 Ti1 V2 Cr1 O10\n1.0\n6.652456 0.000000 -0.178787\n0.000000 6.520392 0.000000\n-0.105356 0.000000 5.350621\nLi Ti V Cr O\n1 1 2 1 10\ndirect\n0.942361 0.250000 0.085871 Li\n0.748301 0.250000 0.525868 Ti\n0.239390 0.250000 0.602715 V\n0.756259 0.750000 0.393853 V\n0.256077 0.750000 0.501338 Cr\n0.051536 0.750000 0.309047 O\n0.195012 0.250000 0.295803 O\n0.252806 0.547377 0.687115 O\n0.252806 0.952623 0.687115 O\n0.464180 0.750000 0.331491 O\n0.522610 0.250000 0.687333 O\n0.768349 0.025064 0.305740 O\n0.768349 0.474936 0.305740 O\n0.771547 0.750000 0.695936 O\n0.970417 0.250000 0.737814 O\n",
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{
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"structure_string": "Co6 O2 F10\n1.0\n3.127163 0.000000 0.000000\n0.000000 6.676982 0.000000\n0.000000 3.329255 10.000457\nCo O F\n6 2 10\ndirect\n0.000000 0.023670 0.992986 Co\n0.500000 0.477543 0.006095 Co\n0.000000 0.326005 0.349595 Co\n0.500000 0.172771 0.653139 Co\n0.500000 0.834073 0.331668 Co\n0.000000 0.666035 0.668625 Co\n0.000000 0.295197 0.003092 O\n0.500000 0.266810 0.466744 O\n0.000000 0.704440 0.000691 F\n0.000000 0.031935 0.327418 F\n0.500000 0.394909 0.216179 F\n0.500000 0.933079 0.124143 F\n0.000000 0.640197 0.330548 F\n0.000000 0.362195 0.667655 F\n0.500000 0.065953 0.859631 F\n0.500000 0.731890 0.536085 F\n0.500000 0.601751 0.800937 F\n0.000000 0.971550 0.664768 F\n",
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"elements": [
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"volume": 208.80965278571537,
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"formula_full": "Co6 O2 F10",
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{
"id": "mp-1217857",
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"structure_string": "Tb12 Fe1 Co1 Bi4\n1.0\n0.000000 0.000000 -4.158515\n-4.194222 -7.257116 0.000000\n-12.742525 7.252836 0.000000\nTb Fe Co Bi\n12 1 1 4\ndirect\n0.500000 0.190740 0.195109 Tb\n0.500000 0.689481 0.693761 Tb\n0.000000 0.878836 0.109777 Tb\n0.000000 0.376348 0.609381 Tb\n0.000000 0.718709 0.494582 Tb\n0.000000 0.219838 0.994770 Tb\n0.000000 0.371472 0.376328 Tb\n0.000000 0.876406 0.878126 Tb\n0.500000 0.690599 0.296851 Tb\n0.500000 0.190842 0.795098 Tb\n0.500000 0.598182 0.995878 Tb\n0.500000 0.096359 0.497028 Tb\n0.500000 0.480644 0.489033 Fe\n0.500000 0.976254 0.988692 Co\n0.000000 0.990561 0.329877 Bi\n0.000000 0.493165 0.829579 Bi\n0.000000 0.490670 0.162257 Bi\n0.000000 0.988463 0.662244 Bi\n",
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"formula_full": "Tb12 Fe1 Co1 Bi4",
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{
"id": "mp-757548",
"created_at": "2022-09-04T14:45:36.379378Z",
"structure_string": "Co1 Sn3 P4 O16\n1.0\n5.111926 -0.029805 -0.000340\n-0.060632 10.439068 -0.000115\n-0.000411 -0.000129 6.173567\nCo Sn P O\n1 3 4 16\ndirect\n0.059205 0.726410 0.749985 Co\n0.452108 0.213108 0.750005 Sn\n0.549789 0.784983 0.250053 Sn\n0.958376 0.281806 0.249986 Sn\n0.108100 0.617138 0.249955 P\n0.430081 0.081133 0.250029 P\n0.587437 0.902464 0.750050 P\n0.872458 0.401165 0.749931 P\n0.168879 0.476904 0.250085 O\n0.248041 0.689864 0.054867 O\n0.248021 0.689948 0.445039 O\n0.150345 0.342531 0.750040 O\n0.293762 0.885259 0.750016 O\n0.303318 0.153030 0.049867 O\n0.303266 0.153086 0.450087 O\n0.320128 0.941813 0.250113 O\n0.669918 0.047377 0.749917 O\n0.728159 0.833693 0.552579 O\n0.728135 0.833853 0.947713 O\n0.724190 0.084584 0.250066 O\n0.807382 0.638153 0.249915 O\n0.701970 0.338220 0.559063 O\n0.701880 0.338317 0.940810 O\n0.885053 0.545163 0.749829 O\n",
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"formula_full": "Co1 Sn3 P4 O16",
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{
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"created_at": "2022-09-04T14:45:36.978077Z",
"structure_string": "Ca3 Cr2 N6\n1.0\n4.906854 0.000000 0.000000\n0.000000 5.912311 0.000000\n0.000000 2.690483 6.803078\nCa Cr N\n3 2 6\ndirect\n0.000000 0.832698 0.115203 Ca\n0.500000 0.184133 0.902463 Ca\n0.000000 0.153417 0.549929 Ca\n0.000000 0.565057 0.713212 Cr\n0.500000 0.462995 0.299892 Cr\n0.000000 0.666460 0.465507 N\n0.500000 0.761832 0.136491 N\n0.000000 0.256890 0.855666 N\n0.500000 0.259817 0.195331 N\n0.500000 0.311683 0.551908 N\n0.000000 0.779942 0.809967 N\n",
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"density": 2.593638420717692,
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"formula_full": "Ca3 Cr2 N6",
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{
"id": "mp-1218624",
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"structure_string": "Sr5 Ca5 P6 Cl2 O24\n1.0\n7.032901 0.000000 0.000000\n0.000000 9.869618 0.000000\n0.000000 4.930582 8.564264\nSr Ca P Cl O\n5 5 6 2 24\ndirect\n0.500000 0.747380 0.252227 Sr\n0.500000 0.001620 0.746694 Sr\n0.000000 0.747653 0.998649 Sr\n0.000000 0.253452 0.748657 Sr\n0.000000 0.998361 0.253156 Sr\n0.748529 0.332882 0.333125 Ca\n0.248611 0.666827 0.666621 Ca\n0.751389 0.666827 0.666621 Ca\n0.251471 0.332882 0.333125 Ca\n0.500000 0.266770 0.989888 Ca\n0.500000 0.412860 0.622986 P\n0.500000 0.965541 0.413373 P\n0.500000 0.618747 0.967029 P\n0.000000 0.586165 0.379205 P\n0.000000 0.034473 0.586161 P\n0.000000 0.378063 0.033132 P\n0.253292 0.002743 0.000152 Cl\n0.746708 0.002743 0.000152 Cl\n0.500000 0.354633 0.502400 O\n0.500000 0.144380 0.355170 O\n0.500000 0.500545 0.145990 O\n0.000000 0.644325 0.499828 O\n0.000000 0.855623 0.644486 O\n0.000000 0.500244 0.854717 O\n0.676458 0.354739 0.731622 O\n0.678158 0.915336 0.356914 O\n0.677794 0.725907 0.915513 O\n0.177645 0.644166 0.272067 O\n0.177747 0.083655 0.644133 O\n0.180663 0.273000 0.079716 O\n0.822355 0.644166 0.272067 O\n0.822253 0.083655 0.644133 O\n0.819337 0.273000 0.079716 O\n0.323542 0.354739 0.731622 O\n0.321842 0.915336 0.356914 O\n0.322206 0.725907 0.915513 O\n0.500000 0.595131 0.539642 O\n0.500000 0.865785 0.595902 O\n0.500000 0.532079 0.870732 O\n0.000000 0.403898 0.461807 O\n0.000000 0.134166 0.404047 O\n0.000000 0.459595 0.134398 O\n",
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{
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{
"id": "mp-758450",
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"structure_string": "Li2 Cu6 C6 O18\n1.0\n6.518426 0.000000 0.000000\n0.000000 8.125602 0.000000\n0.000000 4.027582 7.065803\nLi Cu C O\n2 6 6 18\ndirect\n0.000000 0.025301 0.297356 Li\n0.500000 0.295646 0.679446 Li\n0.254513 0.978395 0.655369 Cu\n0.745487 0.978395 0.655369 Cu\n0.755730 0.653273 0.357327 Cu\n0.244270 0.653273 0.357327 Cu\n0.253136 0.374413 0.990692 Cu\n0.746864 0.374413 0.990692 Cu\n0.000000 0.670499 0.660275 C\n0.500000 0.657824 0.666630 C\n0.250318 0.006848 0.998896 C\n0.749682 0.006848 0.998896 C\n0.250336 0.328909 0.336877 C\n0.749664 0.328909 0.336877 C\n0.779361 0.925007 0.179961 O\n0.220639 0.925007 0.179961 O\n0.000000 0.857140 0.586480 O\n0.500000 0.838947 0.597052 O\n0.000000 0.603463 0.544464 O\n0.500000 0.583295 0.555275 O\n0.742646 0.906656 0.917142 O\n0.257354 0.906656 0.917142 O\n0.000000 0.561112 0.840457 O\n0.500000 0.544317 0.849169 O\n0.273594 0.189441 0.901192 O\n0.726406 0.189441 0.901192 O\n0.256280 0.507980 0.224976 O\n0.743720 0.507980 0.224976 O\n0.224117 0.217345 0.266817 O\n0.775883 0.217345 0.266817 O\n0.271204 0.256692 0.518361 O\n0.728796 0.256692 0.518361 O\n",
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{
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{
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"structure_string": "Sr3 Li4 La5 O12\n1.0\n3.591194 0.000000 0.000000\n0.000000 6.986714 0.000000\n0.000000 0.013600 13.613937\nSr Li La O\n3 4 5 12\ndirect\n0.500000 0.913025 0.782492 Sr\n0.500000 0.411683 0.720925 Sr\n0.000000 0.589165 0.279576 Sr\n0.000000 0.623430 0.865626 Li\n0.000000 0.123704 0.635318 Li\n0.500000 0.875262 0.368549 Li\n0.500000 0.382816 0.131369 Li\n0.000000 0.241601 0.957122 La\n0.000000 0.742637 0.544232 La\n0.500000 0.257473 0.458436 La\n0.000000 0.085928 0.216992 La\n0.500000 0.760220 0.042607 La\n0.000000 0.868444 0.931509 O\n0.500000 0.486578 0.903560 O\n0.000000 0.180871 0.777271 O\n0.000000 0.680273 0.719214 O\n0.500000 0.989857 0.593394 O\n0.000000 0.366341 0.563087 O\n0.500000 0.629926 0.436343 O\n0.000000 0.010479 0.397004 O\n0.500000 0.312906 0.276555 O\n0.500000 0.831637 0.227718 O\n0.000000 0.501920 0.100186 O\n0.500000 0.133824 0.070913 O\n",
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{
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"structure_string": "Ta4 Fe5 Te12\n1.0\n3.654266 0.000000 0.000000\n0.000000 7.596920 0.000000\n0.000000 0.599194 19.082367\nTa Fe Te\n4 5 12\ndirect\n0.500000 0.180274 0.647336 Ta\n0.500000 0.680418 0.147844 Ta\n0.000000 0.316072 0.852038 Ta\n0.000000 0.818741 0.352045 Ta\n0.000000 0.067968 0.544084 Fe\n0.000000 0.568749 0.041837 Fe\n0.500000 0.431354 0.958632 Fe\n0.500000 0.931936 0.455747 Fe\n0.500000 0.756029 0.000248 Fe\n0.000000 0.396277 0.578202 Te\n0.000000 0.916982 0.083910 Te\n0.500000 0.101838 0.922493 Te\n0.500000 0.604043 0.421635 Te\n0.500000 0.848771 0.589077 Te\n0.500000 0.346853 0.092083 Te\n0.000000 0.655560 0.900664 Te\n0.000000 0.150489 0.410659 Te\n0.500000 0.460718 0.748560 Te\n0.500000 0.963749 0.249541 Te\n0.000000 0.037997 0.750470 Te\n0.000000 0.536133 0.250544 Te\n",
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}