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{
"id": "mp-766130",
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"structure_string": "Li8 Mn2 Fe6 P8 O32\n1.0\n4.762725 0.000000 0.000000\n0.000000 10.480765 0.000000\n0.000000 0.000000 12.217463\nLi Mn Fe P O\n8 2 6 8 32\ndirect\n0.749811 0.000416 0.374854 Li\n0.749811 0.000416 0.625146 Li\n0.750336 0.999744 0.874538 Li\n0.750336 0.999744 0.125462 Li\n0.250189 0.500416 0.874854 Li\n0.249664 0.499744 0.374538 Li\n0.249664 0.499744 0.625462 Li\n0.250189 0.500416 0.125146 Li\n0.773115 0.718509 0.500000 Mn\n0.226885 0.218509 0.000000 Mn\n0.775952 0.718395 0.000000 Fe\n0.224048 0.218395 0.500000 Fe\n0.275322 0.781585 0.249601 Fe\n0.275322 0.781585 0.750399 Fe\n0.724678 0.281585 0.749601 Fe\n0.724678 0.281585 0.250399 Fe\n0.834057 0.594271 0.249228 P\n0.834057 0.594271 0.750772 P\n0.165943 0.094271 0.250772 P\n0.165943 0.094271 0.749228 P\n0.332065 0.907312 0.500000 P\n0.333680 0.904677 0.000000 P\n0.667935 0.407312 0.000000 P\n0.666320 0.404677 0.500000 P\n0.956849 0.456304 0.249380 O\n0.956849 0.456304 0.750620 O\n0.971506 0.664170 0.650428 O\n0.966205 0.664494 0.852526 O\n0.966205 0.664494 0.147474 O\n0.971506 0.664170 0.349572 O\n0.991383 0.404843 0.000000 O\n0.989645 0.403284 0.500000 O\n0.010355 0.903284 0.000000 O\n0.008617 0.904843 0.500000 O\n0.033795 0.164494 0.647474 O\n0.028494 0.164170 0.849572 O\n0.033795 0.164494 0.352526 O\n0.028494 0.164170 0.150428 O\n0.043151 0.956304 0.749380 O\n0.043151 0.956304 0.250620 O\n0.459577 0.041713 0.000000 O\n0.458275 0.044036 0.500000 O\n0.466228 0.834308 0.898521 O\n0.466228 0.834308 0.101479 O\n0.462804 0.836294 0.398518 O\n0.462804 0.836294 0.601482 O\n0.489068 0.097031 0.249899 O\n0.489068 0.097031 0.750101 O\n0.510932 0.597031 0.749899 O\n0.510932 0.597031 0.250101 O\n0.537196 0.336294 0.101482 O\n0.533772 0.334308 0.398521 O\n0.533772 0.334308 0.601479 O\n0.537196 0.336294 0.898518 O\n0.541725 0.544036 0.000000 O\n0.540423 0.541713 0.500000 O\n",
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"formula_full": "Li8 Mn2 Fe6 P8 O32",
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"spacegroup": 31
},
{
"id": "mp-1202206",
"created_at": "2022-09-04T14:48:11.300070Z",
"structure_string": "Cr8 Cl24 O8\n1.0\n5.956010 0.000000 0.000000\n0.000000 14.526972 0.000000\n-1.974785 0.000000 11.998635\nCr Cl O\n8 24 8\ndirect\n0.445257 0.490240 0.279233 Cr\n0.554743 0.990240 0.220767 Cr\n0.554743 0.509760 0.720767 Cr\n0.445257 0.009760 0.779233 Cr\n0.041492 0.297889 0.232814 Cr\n0.958508 0.797889 0.267186 Cr\n0.958508 0.702111 0.767186 Cr\n0.041492 0.202111 0.732814 Cr\n0.572169 0.561113 0.143011 Cl\n0.427831 0.061113 0.356989 Cl\n0.427831 0.438887 0.856989 Cl\n0.572169 0.938887 0.643011 Cl\n0.788279 0.474169 0.377115 Cl\n0.211721 0.974169 0.122885 Cl\n0.211721 0.525831 0.622885 Cl\n0.788279 0.025831 0.877115 Cl\n0.141884 0.434938 0.144913 Cl\n0.858116 0.934938 0.355087 Cl\n0.858116 0.565062 0.855087 Cl\n0.141884 0.065062 0.644913 Cl\n0.343865 0.353349 0.366748 Cl\n0.656135 0.853349 0.133252 Cl\n0.656135 0.646651 0.633252 Cl\n0.343865 0.146651 0.866748 Cl\n0.922642 0.225432 0.370528 Cl\n0.077358 0.725432 0.129472 Cl\n0.077358 0.774568 0.629472 Cl\n0.922642 0.274568 0.870528 Cl\n0.694353 0.314120 0.139677 Cl\n0.305647 0.814120 0.360323 Cl\n0.305647 0.685880 0.860323 Cl\n0.694353 0.185880 0.639677 Cl\n0.332022 0.567132 0.342268 O\n0.667978 0.067132 0.157732 O\n0.667978 0.432868 0.657732 O\n0.332022 0.932868 0.842268 O\n0.151480 0.221998 0.166917 O\n0.848520 0.721998 0.333083 O\n0.848520 0.778002 0.833083 O\n0.151480 0.278002 0.666917 O\n",
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"formula_full": "Cr8 Cl24 O8",
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},
{
"id": "mp-1246935",
"created_at": "2022-09-04T14:48:11.302107Z",
"structure_string": "V2 C12 N18\n1.0\n7.408256 0.778759 0.000000\n10.800194 7.410763 0.000000\n0.000000 0.000000 11.542019\nV C N\n2 12 18\ndirect\n0.000000 0.276984 0.250000 V\n0.000000 0.723016 0.750000 V\n0.679688 0.779244 0.250000 C\n0.679688 0.541068 0.750000 C\n0.320312 0.220756 0.750000 C\n0.320312 0.458932 0.250000 C\n0.681283 0.306596 0.905972 C\n0.681283 0.012122 0.094028 C\n0.681283 0.306596 0.594028 C\n0.681283 0.012122 0.405972 C\n0.318717 0.693404 0.094028 C\n0.318717 0.987878 0.905972 C\n0.318717 0.693404 0.405972 C\n0.318717 0.987878 0.594028 C\n0.000000 0.572285 0.250000 N\n0.000000 0.427715 0.750000 N\n0.376980 0.967640 0.250000 N\n0.376980 0.655381 0.750000 N\n0.623020 0.032360 0.750000 N\n0.623020 0.344619 0.250000 N\n0.000000 0.120810 0.950053 N\n0.000000 0.879190 0.049947 N\n0.000000 0.120810 0.549947 N\n0.000000 0.879190 0.450053 N\n0.379734 0.478345 0.870253 N\n0.379734 0.141921 0.129747 N\n0.379734 0.478345 0.629747 N\n0.379734 0.141921 0.370253 N\n0.620266 0.521655 0.129747 N\n0.620266 0.858079 0.870253 N\n0.620266 0.521655 0.370253 N\n0.620266 0.858079 0.629747 N\n",
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"elements": [
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],
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"volume": 536.5894002920488,
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"formula_full": "V2 C12 N18",
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"formula_anonymous": "AB6C9",
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},
{
"id": "mp-555093",
"created_at": "2022-09-04T14:48:11.302711Z",
"structure_string": "Cu2 B8 O14\n1.0\n3.278019 -5.440057 0.000000\n3.278019 5.440057 0.000000\n0.000000 0.000000 5.156318\nCu B O\n2 8 14\ndirect\n0.278753 0.278753 0.250000 Cu\n0.721247 0.721247 0.750000 Cu\n0.698170 0.925796 0.250000 B\n0.296798 0.703202 0.500000 B\n0.925796 0.698170 0.250000 B\n0.074204 0.301830 0.750000 B\n0.703202 0.296798 0.000000 B\n0.703202 0.296798 0.500000 B\n0.301830 0.074204 0.750000 B\n0.296798 0.703202 0.000000 B\n0.921726 0.921726 0.250000 O\n0.243850 0.802903 0.750000 O\n0.197097 0.756150 0.250000 O\n0.444598 0.189921 0.979024 O\n0.444598 0.189921 0.520976 O\n0.810079 0.555402 0.479024 O\n0.810079 0.555402 0.020976 O\n0.802903 0.243850 0.750000 O\n0.078274 0.078274 0.750000 O\n0.555402 0.810079 0.020976 O\n0.189921 0.444598 0.979024 O\n0.189921 0.444598 0.520976 O\n0.756150 0.197097 0.250000 O\n0.555402 0.810079 0.479024 O\n",
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{
"id": "mp-781613",
"created_at": "2022-09-04T14:48:11.305029Z",
"structure_string": "Li4 Fe3 Co5 O16\n1.0\n5.755559 0.008340 -0.035050\n-2.870560 4.981317 -0.001738\n-0.057046 -0.036087 9.177425\nLi Fe Co O\n4 3 5 16\ndirect\n0.329328 0.664759 0.897697 Li\n0.009337 0.002632 0.996998 Li\n0.010689 0.005615 0.494976 Li\n0.662515 0.329179 0.391896 Li\n0.663922 0.832081 0.211311 Fe\n0.830091 0.660859 0.712438 Fe\n0.830520 0.169444 0.712155 Fe\n0.171808 0.828332 0.212983 Co\n0.329867 0.666921 0.483655 Co\n0.172951 0.344207 0.213240 Co\n0.348498 0.174399 0.713334 Co\n0.662628 0.333904 0.987711 Co\n0.177240 0.834426 0.594605 O\n0.039038 0.520356 0.337184 O\n0.315127 0.653071 0.108150 O\n0.019109 0.013753 0.304193 O\n0.016858 0.008377 0.804772 O\n0.177225 0.342898 0.594535 O\n0.467629 0.951679 0.345860 O\n0.462849 0.509150 0.345549 O\n0.338235 0.170231 0.102491 O\n0.660688 0.830611 0.595107 O\n0.509393 0.469320 0.847968 O\n0.510683 0.041852 0.849194 O\n0.658951 0.329685 0.602273 O\n0.835141 0.664419 0.096589 O\n0.949463 0.474472 0.852991 O\n0.840217 0.173669 0.097989 O\n",
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],
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{
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"structure_string": "Li6 Sn4 P6 O24\n1.0\n9.205531 -4.337411 0.000000\n9.205531 4.337411 0.000000\n7.161854 0.000000 7.229301\nLi Sn P O\n6 4 6 24\ndirect\n0.245188 0.670574 0.942795 Li\n0.329426 0.057205 0.754812 Li\n0.942795 0.245188 0.670574 Li\n0.754812 0.329426 0.057205 Li\n0.057205 0.754812 0.329426 Li\n0.670574 0.942795 0.245188 Li\n0.657477 0.657477 0.657477 Sn\n0.837030 0.837030 0.837030 Sn\n0.162970 0.162970 0.162970 Sn\n0.342523 0.342523 0.342523 Sn\n0.047332 0.451354 0.721484 P\n0.278516 0.952668 0.548646 P\n0.952668 0.548646 0.278516 P\n0.721484 0.047332 0.451354 P\n0.451354 0.721484 0.047332 P\n0.548646 0.278516 0.952668 P\n0.143055 0.252813 0.830988 O\n0.464861 0.783647 0.848939 O\n0.983711 0.401968 0.247121 O\n0.747187 0.169012 0.856945 O\n0.494314 0.847913 0.501944 O\n0.598032 0.752879 0.016289 O\n0.498056 0.505686 0.152087 O\n0.856945 0.747187 0.169012 O\n0.216353 0.151061 0.535139 O\n0.169012 0.856945 0.747187 O\n0.848939 0.464861 0.783647 O\n0.252813 0.830988 0.143055 O\n0.152087 0.498056 0.505686 O\n0.783647 0.848939 0.464861 O\n0.401968 0.247121 0.983711 O\n0.505686 0.152087 0.498056 O\n0.501944 0.494314 0.847913 O\n0.535139 0.216353 0.151061 O\n0.151061 0.535139 0.216353 O\n0.247121 0.983711 0.401968 O\n0.752879 0.016289 0.598032 O\n0.847913 0.501944 0.494314 O\n0.830988 0.143055 0.252813 O\n0.016289 0.598032 0.752879 O\n",
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{
"id": "mp-1225939",
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"structure_string": "Cs2 Sc2 Ag2 F12\n1.0\n-3.873014 3.940566 5.760287\n3.873014 -3.940566 5.760287\n3.873014 3.940566 -5.760287\nCs Sc Ag F\n2 2 2 12\ndirect\n0.373299 0.123299 0.250000 Cs\n0.626701 0.876701 0.750000 Cs\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.299682 0.549682 0.750000 F\n0.937138 0.187138 0.750000 F\n0.345655 0.192689 0.772045 F\n0.920643 0.573610 0.727955 F\n0.345655 0.573610 0.152967 F\n0.920643 0.192689 0.347033 F\n0.700318 0.450318 0.250000 F\n0.062862 0.812862 0.250000 F\n0.654345 0.807311 0.227955 F\n0.079357 0.426390 0.272045 F\n0.654345 0.426390 0.847033 F\n0.079357 0.807311 0.652967 F\n",
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{
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{
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}