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{
"id": "mp-1342410",
"created_at": "2022-09-04T14:48:15.755263Z",
"structure_string": "Ca4 W4 O12\n1.0\n5.580866 0.000000 0.000000\n0.000000 5.794242 0.000000\n0.000000 0.000000 7.910173\nCa W O\n4 4 12\ndirect\n0.013398 0.049424 0.750000 Ca\n0.513398 0.450576 0.250000 Ca\n0.486602 0.549424 0.750000 Ca\n0.986602 0.950576 0.250000 Ca\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.101256 0.540597 0.250000 O\n0.601256 0.959403 0.750000 O\n0.398744 0.040597 0.250000 O\n0.898744 0.459403 0.750000 O\n0.309421 0.296221 0.554811 O\n0.809421 0.203779 0.445189 O\n0.190579 0.796221 0.945189 O\n0.690579 0.703779 0.054811 O\n0.309421 0.296221 0.945189 O\n0.809421 0.203779 0.054811 O\n0.690579 0.703779 0.445189 O\n0.190579 0.796221 0.554811 O\n",
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{
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"structure_string": "Li4 B24 O36 F4\n1.0\n7.882700 0.000000 0.000000\n0.000000 8.651370 0.000000\n0.000000 0.000000 10.958028\nLi B O F\n4 24 36 4\ndirect\n0.237544 0.300768 0.226466 Li\n0.762456 0.699232 0.726466 Li\n0.737544 0.199232 0.226466 Li\n0.262456 0.800768 0.726466 Li\n0.871643 0.397412 0.654131 B\n0.058140 0.348449 0.486953 B\n0.594356 0.912920 0.602993 B\n0.128357 0.602588 0.154131 B\n0.363026 0.606488 0.313087 B\n0.941860 0.651551 0.986953 B\n0.046655 0.841868 0.483136 B\n0.546655 0.658132 0.483136 B\n0.636974 0.393512 0.813087 B\n0.538591 0.404051 0.394386 B\n0.905644 0.412920 0.102993 B\n0.558140 0.151551 0.486953 B\n0.371643 0.102588 0.654131 B\n0.441860 0.848449 0.986953 B\n0.953345 0.158132 0.983136 B\n0.094356 0.587080 0.602993 B\n0.136974 0.106488 0.813087 B\n0.453345 0.341868 0.983136 B\n0.628357 0.897412 0.154131 B\n0.405644 0.087080 0.102993 B\n0.038591 0.095949 0.394386 B\n0.863026 0.893512 0.313087 B\n0.961409 0.904051 0.894386 B\n0.461409 0.595949 0.894386 B\n0.749802 0.338317 0.730676 O\n0.932399 0.791486 0.395579 O\n0.632717 0.011404 0.498261 O\n0.395096 0.494498 0.977520 O\n0.935458 0.296202 0.568009 O\n0.068320 0.454452 0.163016 O\n0.931680 0.545548 0.663016 O\n0.567601 0.291486 0.895579 O\n0.432399 0.708514 0.395579 O\n0.104904 0.994498 0.477520 O\n0.897878 0.247502 0.075542 O\n0.564542 0.796202 0.068009 O\n0.895096 0.005502 0.977520 O\n0.604904 0.505502 0.477520 O\n0.750198 0.838317 0.230676 O\n0.095244 0.248217 0.390532 O\n0.404756 0.748217 0.890532 O\n0.867283 0.511404 0.998261 O\n0.435458 0.203798 0.568009 O\n0.067601 0.208514 0.895579 O\n0.064542 0.703798 0.068009 O\n0.595244 0.251783 0.390532 O\n0.914939 0.048983 0.311569 O\n0.085061 0.951017 0.811569 O\n0.414939 0.451017 0.311569 O\n0.249802 0.161683 0.730676 O\n0.585061 0.548983 0.811569 O\n0.568320 0.045548 0.163016 O\n0.102122 0.752498 0.575542 O\n0.397878 0.252498 0.075542 O\n0.602122 0.747502 0.575542 O\n0.904756 0.751783 0.890532 O\n0.132717 0.488596 0.498261 O\n0.431680 0.954452 0.663016 O\n0.250198 0.661683 0.230676 O\n0.367283 0.988596 0.998261 O\n0.728435 0.928146 0.694843 F\n0.771565 0.428146 0.194843 F\n0.228435 0.571854 0.694843 F\n0.271565 0.071854 0.194843 F\n",
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"spacegroup": 33
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{
"id": "mp-1310460",
"created_at": "2022-09-04T14:48:12.290706Z",
"structure_string": "Li12 Mn2 Fe4 O12\n1.0\n0.016909 -1.677279 2.757777\n2.946801 13.004363 6.419694\n-5.672920 2.358618 -0.436450\nLi Mn Fe O\n12 2 4 12\ndirect\n0.989989 0.299965 0.686272 Li\n0.994142 0.802546 0.186599 Li\n0.637816 0.312489 0.961443 Li\n0.635107 0.810686 0.462641 Li\n0.966549 0.142603 0.795897 Li\n0.978736 0.645719 0.296404 Li\n0.663217 0.469943 0.852067 Li\n0.654203 0.967713 0.351209 Li\n0.332059 0.134484 0.515975 Li\n0.331813 0.633480 0.017299 Li\n0.300728 0.478727 0.131073 Li\n0.297557 0.979978 0.629818 Li\n0.314889 0.807327 0.824538 Mn\n0.313647 0.306654 0.323266 Mn\n0.986633 0.472740 0.495091 Fe\n0.650120 0.639024 0.658060 Fe\n0.979770 0.973422 0.989671 Fe\n0.646742 0.139749 0.152331 Fe\n0.489089 0.378054 0.637455 O\n0.502963 0.876021 0.141717 O\n0.137401 0.235226 0.006929 O\n0.126827 0.737221 0.507332 O\n0.840719 0.208602 0.470752 O\n0.837493 0.707408 0.967942 O\n0.791183 0.403852 0.175224 O\n0.791156 0.906008 0.679933 O\n0.153306 0.042834 0.297437 O\n0.173377 0.543209 0.808540 O\n0.456291 0.069943 0.840775 O\n0.482648 0.569854 0.353161 O\n",
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"density": 3.59366494979224,
"density_atomic": 0.1066890813832053,
"volume": 281.19091111344517,
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"formula_full": "Li12 Mn2 Fe4 O12",
"formula_reduced": "Li6Mn(FeO3)2",
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"updated_at": "2021-11-28T01:38:35.426000Z",
"spacegroup": 2
},
{
"id": "mp-1210367",
"created_at": "2022-09-04T14:48:16.275066Z",
"structure_string": "Na6 P6 N6 O14\n1.0\n6.101758 5.081280 0.000000\n-6.101758 5.081280 0.000000\n0.000000 2.343627 7.379170\nNa P N O\n6 6 6 14\ndirect\n0.724049 0.006682 0.377186 Na\n0.993318 0.275951 0.622814 Na\n0.357798 0.071016 0.578076 Na\n0.928984 0.642202 0.421924 Na\n0.017151 0.982849 0.000000 Na\n0.684033 0.315967 0.000000 Na\n0.615125 0.669275 0.174695 P\n0.330725 0.384875 0.825305 P\n0.367482 0.902688 0.193895 P\n0.097312 0.632518 0.806105 P\n0.071144 0.383942 0.151394 P\n0.616058 0.928856 0.848606 P\n0.023890 0.558789 0.029675 N\n0.441211 0.976110 0.970325 N\n0.431317 0.720409 0.272161 N\n0.279591 0.568683 0.727840 N\n0.254317 0.334936 0.050498 N\n0.665064 0.745683 0.949502 N\n0.677204 0.322796 0.500000 O\n0.923494 0.226941 0.156857 O\n0.773059 0.076506 0.843143 O\n0.575246 0.912669 0.668853 O\n0.087331 0.424754 0.331147 O\n0.466362 0.041124 0.273410 O\n0.958876 0.533638 0.726590 O\n0.004810 0.995190 0.500000 O\n0.167151 0.869762 0.236692 O\n0.130238 0.832849 0.763308 O\n0.762718 0.777607 0.236908 O\n0.222393 0.237282 0.763092 O\n0.528549 0.405200 0.783602 O\n0.594800 0.471451 0.216398 O\n",
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"density": 2.292830915879447,
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"formula_full": "Na6 P6 N6 O14",
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{
"id": "mp-1232094",
"created_at": "2022-09-04T14:48:11.644747Z",
"structure_string": "Sm8 Mg4 S16\n1.0\n13.827694 0.000000 0.000000\n0.000000 8.107801 0.000000\n0.000000 0.000000 6.606503\nSm Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.231133 0.750000 0.998789 Sm\n0.768867 0.250000 0.001211 Sm\n0.268867 0.250000 0.498789 Sm\n0.731133 0.750000 0.501211 Sm\n0.093016 0.250000 0.922926 Mg\n0.906984 0.750000 0.077074 Mg\n0.406984 0.750000 0.422926 Mg\n0.593016 0.250000 0.577074 Mg\n0.167890 0.014280 0.746481 S\n0.832110 0.985720 0.253519 S\n0.332110 0.985720 0.246481 S\n0.667890 0.014280 0.753519 S\n0.667890 0.485720 0.753519 S\n0.332110 0.514280 0.246481 S\n0.832110 0.514280 0.253519 S\n0.167890 0.485720 0.746481 S\n0.067835 0.750000 0.244274 S\n0.932165 0.250000 0.755726 S\n0.432165 0.250000 0.744274 S\n0.567835 0.750000 0.255726 S\n0.092147 0.250000 0.287033 S\n0.907853 0.750000 0.712966 S\n0.407853 0.750000 0.787034 S\n0.592147 0.250000 0.212967 S\n",
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{
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{
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{
"id": "mp-1181421",
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"structure_string": "Er2 Cl6 O12\n1.0\n6.674159 0.000000 0.000000\n0.000000 5.716071 0.000000\n0.000000 2.973027 9.828896\nEr Cl O\n2 6 12\ndirect\n0.337491 0.500000 0.250000 Er\n0.662509 0.500000 0.750000 Er\n0.768028 0.695955 0.053525 Cl\n0.231972 0.304045 0.946475 Cl\n0.768028 0.304045 0.446475 Cl\n0.231972 0.695955 0.553525 Cl\n0.003686 0.000000 0.750000 Cl\n0.996314 0.000000 0.250000 Cl\n0.127940 0.177824 0.305720 O\n0.872060 0.822176 0.694280 O\n0.127940 0.822176 0.194280 O\n0.872060 0.177824 0.805720 O\n0.582883 0.745909 0.138251 O\n0.417117 0.254091 0.861749 O\n0.582883 0.254091 0.361749 O\n0.417117 0.745909 0.638251 O\n0.286112 0.529915 0.460908 O\n0.713888 0.470085 0.539092 O\n0.286112 0.470085 0.039092 O\n0.713888 0.529915 0.960908 O\n",
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{
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