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{
"id": "mp-1180363",
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"structure_string": "Na12 P12 O48\n1.0\n5.316357 -9.725369 0.000000\n5.316357 9.725369 0.000000\n0.000000 0.000000 10.357708\nNa P O\n12 12 48\ndirect\n0.557733 0.213147 0.181702 Na\n0.786853 0.442267 0.818298 Na\n0.286853 0.942267 0.681702 Na\n0.057733 0.713147 0.318298 Na\n0.442267 0.786853 0.818298 Na\n0.213147 0.557733 0.181702 Na\n0.713147 0.057733 0.318298 Na\n0.942267 0.286853 0.681702 Na\n0.388672 0.388672 0.182211 Na\n0.611328 0.611328 0.817789 Na\n0.111328 0.111328 0.682211 Na\n0.888672 0.888672 0.317789 Na\n0.378945 0.228916 0.473599 P\n0.771084 0.621055 0.526401 P\n0.271084 0.121055 0.973599 P\n0.878945 0.728916 0.026401 P\n0.621055 0.771084 0.526401 P\n0.228916 0.378945 0.473599 P\n0.728916 0.878945 0.026401 P\n0.121055 0.271084 0.973599 P\n0.678921 0.321079 0.500000 P\n0.178921 0.821079 0.000000 P\n0.321079 0.678921 0.500000 P\n0.821079 0.178921 0.000000 P\n0.413282 0.239991 0.029281 O\n0.760009 0.586718 0.970719 O\n0.260009 0.086718 0.529281 O\n0.913282 0.739991 0.470719 O\n0.586718 0.760009 0.970719 O\n0.239991 0.413282 0.029281 O\n0.739991 0.913282 0.470719 O\n0.086718 0.260009 0.529281 O\n0.406677 0.243325 0.331771 O\n0.756675 0.593323 0.668229 O\n0.256675 0.093323 0.831771 O\n0.906677 0.743325 0.168229 O\n0.593323 0.756675 0.668229 O\n0.243325 0.406677 0.331771 O\n0.743325 0.906677 0.168229 O\n0.093323 0.256675 0.831771 O\n0.352467 0.352467 0.525146 O\n0.647533 0.647533 0.474854 O\n0.147533 0.147533 0.025146 O\n0.852467 0.852467 0.974854 O\n0.664738 0.228749 0.388051 O\n0.771251 0.335262 0.611949 O\n0.271251 0.835262 0.888051 O\n0.164738 0.728749 0.111949 O\n0.335262 0.771251 0.611949 O\n0.228749 0.664738 0.388051 O\n0.728749 0.164738 0.111949 O\n0.835262 0.271251 0.888051 O\n0.520380 0.271065 0.556502 O\n0.728935 0.479620 0.443498 O\n0.228935 0.979620 0.056502 O\n0.020380 0.771065 0.943498 O\n0.479620 0.728935 0.443498 O\n0.271065 0.520380 0.556502 O\n0.771065 0.020380 0.943498 O\n0.979620 0.228935 0.056502 O\n0.531969 0.353518 0.849007 O\n0.646482 0.468031 0.150993 O\n0.146482 0.968031 0.349007 O\n0.031969 0.853518 0.650993 O\n0.468031 0.646482 0.150993 O\n0.353518 0.531969 0.849007 O\n0.853518 0.031969 0.650993 O\n0.968031 0.146482 0.349007 O\n0.541111 0.041111 0.750000 O\n0.958889 0.458889 0.250000 O\n0.458889 0.958889 0.250000 O\n0.041111 0.541111 0.750000 O\n",
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"formula_full": "Na12 P12 O48",
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{
"id": "mp-1304002",
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"structure_string": "Li8 Ni6 Bi2 O16\n1.0\n-5.222784 -1.578044 2.601105\n-1.776166 -10.058341 -2.586925\n5.225107 -1.594177 2.584873\nLi Ni Bi O\n8 6 2 16\ndirect\n0.500053 0.750371 0.749413 Li\n0.500116 0.250503 0.249257 Li\n0.998503 0.251009 0.750570 Li\n0.999821 0.750354 0.250015 Li\n0.500635 0.499730 0.500554 Li\n0.501229 0.999238 0.001529 Li\n0.999736 0.499671 0.999613 Li\n0.999304 0.999208 0.499532 Li\n0.500529 0.749737 0.249961 Ni\n0.000144 0.749786 0.749648 Ni\n0.499809 0.000605 0.500023 Ni\n0.500374 0.249656 0.750014 Ni\n0.000162 0.249679 0.249812 Ni\n0.499661 0.500447 0.000128 Ni\n0.000456 0.999700 0.000090 Bi\n0.000421 0.499674 0.500038 Bi\n0.269494 0.123448 0.607100 O\n0.269620 0.623140 0.107312 O\n0.729163 0.377246 0.893300 O\n0.729404 0.877407 0.392976 O\n0.752488 0.628670 0.618930 O\n0.752373 0.128737 0.118926 O\n0.253629 0.877506 0.373934 O\n0.253527 0.377536 0.874011 O\n0.748609 0.877558 0.868846 O\n0.748488 0.377570 0.368873 O\n0.251431 0.622435 0.631061 O\n0.251141 0.122620 0.130826 O\n0.746601 0.622404 0.126099 O\n0.746644 0.122592 0.626232 O\n0.248217 0.870900 0.880678 O\n0.248215 0.370861 0.380699 O\n",
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"formula_full": "Li8 Ni6 Bi2 O16",
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{
"id": "mp-1202214",
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"structure_string": "Nb6 Br14 N4 O10\n1.0\n4.472142 9.099833 0.000000\n-4.472142 9.099833 0.000000\n0.000000 3.941644 10.805656\nNb Br N O\n6 14 4 10\ndirect\n0.217890 0.788389 0.520653 Nb\n0.211611 0.782110 0.979347 Nb\n0.782110 0.211611 0.479347 Nb\n0.788389 0.217890 0.020653 Nb\n0.468222 0.531778 0.250000 Nb\n0.531778 0.468222 0.750000 Nb\n0.064204 0.638530 0.626150 Br\n0.361470 0.935796 0.873850 Br\n0.935796 0.361470 0.373850 Br\n0.638530 0.064204 0.126150 Br\n0.364827 0.939154 0.456893 Br\n0.060846 0.635173 0.043107 Br\n0.635173 0.060846 0.543107 Br\n0.939154 0.364827 0.956893 Br\n0.287250 0.414653 0.331502 Br\n0.585347 0.712750 0.168498 Br\n0.712750 0.585347 0.668498 Br\n0.414653 0.287250 0.831502 Br\n0.077161 0.922839 0.750000 Br\n0.922839 0.077161 0.250000 Br\n0.753825 0.849443 0.856382 N\n0.150557 0.246175 0.643618 N\n0.246175 0.150557 0.143618 N\n0.849443 0.753825 0.356382 N\n0.293047 0.708208 0.377188 O\n0.291792 0.706953 0.122812 O\n0.706953 0.291792 0.622812 O\n0.708208 0.293047 0.877188 O\n0.394319 0.607869 0.626898 O\n0.392131 0.605681 0.873102 O\n0.605681 0.392131 0.373102 O\n0.607869 0.394319 0.126898 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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],
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"density": 3.572452838088789,
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"formula_full": "Nb6 Br14 N4 O10",
"formula_reduced": "Nb3Br7N2O5",
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{
"id": "mp-601371",
"created_at": "2022-09-04T14:44:17.297016Z",
"structure_string": "Gd4 Si4\n1.0\n3.896510 0.000000 0.000000\n0.000000 5.730666 0.000000\n0.000000 0.000000 7.990824\nGd Si\n4 4\ndirect\n0.250000 0.114392 0.680554 Gd\n0.750000 0.614392 0.819446 Gd\n0.750000 0.885608 0.319446 Gd\n0.250000 0.385608 0.180554 Gd\n0.250000 0.623319 0.535551 Si\n0.250000 0.876681 0.035551 Si\n0.750000 0.376681 0.464449 Si\n0.750000 0.123319 0.964449 Si\n",
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],
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"formula_full": "Gd4 Si4",
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{
"id": "mp-733521",
"created_at": "2022-09-04T14:44:17.297004Z",
"structure_string": "Fe4 H32 Cl8 O16\n1.0\n-0.000971 7.481733 0.000566\n-0.008739 0.000583 8.513755\n10.978545 -0.001708 -4.247266\nFe H Cl O\n4 32 8 16\ndirect\n0.499751 0.500233 0.500017 Fe\n0.000519 0.999711 0.999675 Fe\n0.499966 0.499971 0.000013 Fe\n0.999672 0.999951 0.500180 Fe\n0.425484 0.847443 0.053365 H\n0.425574 0.847615 0.553502 H\n0.925356 0.652583 0.446662 H\n0.925595 0.652448 0.946545 H\n0.574392 0.152623 0.446589 H\n0.574519 0.152440 0.946838 H\n0.074432 0.347395 0.053437 H\n0.074478 0.347535 0.553425 H\n0.574218 0.796955 0.451428 H\n0.574404 0.796840 0.951507 H\n0.074261 0.703120 0.048632 H\n0.074294 0.703130 0.548580 H\n0.425579 0.202890 0.048645 H\n0.425797 0.203256 0.548632 H\n0.925570 0.296939 0.451546 H\n0.925790 0.296810 0.951382 H\n0.702945 0.688695 0.195674 H\n0.702983 0.688996 0.695878 H\n0.202839 0.811126 0.304247 H\n0.203126 0.810394 0.803823 H\n0.297008 0.311069 0.304232 H\n0.296958 0.311232 0.804350 H\n0.797556 0.189478 0.195670 H\n0.796973 0.188982 0.695840 H\n0.708997 0.504736 0.194937 H\n0.708857 0.504808 0.694690 H\n0.208779 0.995249 0.305357 H\n0.209260 0.994807 0.805269 H\n0.290971 0.495260 0.305307 H\n0.291033 0.495301 0.805231 H\n0.791229 0.005244 0.194223 H\n0.791032 0.004828 0.694773 H\n0.235878 0.574520 0.152279 Cl\n0.235841 0.574413 0.652113 Cl\n0.735832 0.925585 0.347768 Cl\n0.736083 0.925477 0.847812 Cl\n0.764059 0.425648 0.347994 Cl\n0.764090 0.425508 0.847871 Cl\n0.264215 0.074417 0.152138 Cl\n0.264115 0.074557 0.652326 Cl\n0.500194 0.752711 0.002291 O\n0.500138 0.752857 0.502346 O\n0.000158 0.747243 0.497691 O\n0.000179 0.747204 0.997694 O\n0.499819 0.247371 0.497722 O\n0.499395 0.246985 0.997601 O\n0.999894 0.252656 0.002282 O\n0.999841 0.252768 0.502344 O\n0.691922 0.569580 0.141067 O\n0.691649 0.570008 0.641078 O\n0.191668 0.930153 0.359041 O\n0.191955 0.929329 0.858676 O\n0.308104 0.430097 0.358955 O\n0.308012 0.430295 0.859016 O\n0.808635 0.070587 0.140722 O\n0.808127 0.069939 0.641074 O\n",
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"formula_full": "Fe4 H32 Cl8 O16",
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"spacegroup": 14
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{
"id": "mp-705371",
"created_at": "2022-09-04T14:44:17.282950Z",
"structure_string": "Li6 Cr8 P18 O64\n1.0\n13.770329 0.000000 0.000000\n0.000000 13.770329 0.000000\n0.000000 0.000000 6.257507\nLi Cr P O\n6 8 18 64\ndirect\n0.000000 0.500000 0.354206 Li\n0.500000 0.000000 0.645794 Li\n0.000000 0.500000 0.854206 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.145794 Li\n0.000000 0.000000 0.000000 Li\n0.379735 0.305004 0.123082 Cr\n0.620265 0.694996 0.123082 Cr\n0.879735 0.194996 0.376918 Cr\n0.305004 0.620265 0.876918 Cr\n0.694996 0.379735 0.876918 Cr\n0.120265 0.805004 0.376918 Cr\n0.194996 0.120265 0.623082 Cr\n0.805004 0.879735 0.623082 Cr\n0.303972 0.941309 0.390328 P\n0.392538 0.252302 0.633367 P\n0.941309 0.696028 0.609672 P\n0.247698 0.107462 0.133367 P\n0.252302 0.607462 0.366633 P\n0.107462 0.752302 0.866633 P\n0.752302 0.892538 0.133367 P\n0.441309 0.803972 0.890328 P\n0.803972 0.558691 0.109672 P\n0.500000 0.500000 0.000000 P\n0.558691 0.196028 0.890328 P\n0.196028 0.441309 0.109672 P\n0.696028 0.058691 0.390328 P\n0.000000 0.000000 0.500000 P\n0.058691 0.303972 0.609672 P\n0.747698 0.392538 0.366633 P\n0.607462 0.747698 0.633367 P\n0.892538 0.247698 0.866633 P\n0.393481 0.312046 0.427318 O\n0.687954 0.393481 0.572682 O\n0.366286 0.320191 0.819739 O\n0.496296 0.776373 0.667376 O\n0.912824 0.557129 0.094835 O\n0.256638 0.840166 0.360265 O\n0.062915 0.062645 0.652810 O\n0.562645 0.562915 0.152810 O\n0.005684 0.249883 0.428356 O\n0.165854 0.659032 0.877306 O\n0.893481 0.187954 0.072682 O\n0.159834 0.256638 0.639735 O\n0.437355 0.437085 0.152810 O\n0.749883 0.505684 0.928356 O\n0.503704 0.223627 0.667376 O\n0.494316 0.749883 0.071644 O\n0.942871 0.587176 0.594835 O\n0.840166 0.743362 0.639735 O\n0.743362 0.159834 0.360265 O\n0.442871 0.912824 0.905165 O\n0.276373 0.996296 0.167376 O\n0.505684 0.250117 0.071644 O\n0.057129 0.412824 0.594835 O\n0.312046 0.606519 0.572682 O\n0.179809 0.133714 0.319739 O\n0.087176 0.442871 0.094835 O\n0.679809 0.366286 0.180261 O\n0.320191 0.633714 0.180261 O\n0.820191 0.866286 0.319739 O\n0.996296 0.723627 0.832624 O\n0.665854 0.840968 0.622694 O\n0.437085 0.562645 0.847190 O\n0.062645 0.937085 0.347190 O\n0.756638 0.659834 0.139735 O\n0.834146 0.340968 0.877306 O\n0.633714 0.679809 0.819739 O\n0.812046 0.893481 0.927318 O\n0.340968 0.165854 0.122694 O\n0.562915 0.437355 0.847190 O\n0.133714 0.820191 0.680261 O\n0.243362 0.340166 0.139735 O\n0.159032 0.665854 0.377306 O\n0.659032 0.834146 0.122694 O\n0.937085 0.937355 0.652810 O\n0.187954 0.106519 0.927318 O\n0.106519 0.812046 0.072682 O\n0.340166 0.756638 0.860265 O\n0.587176 0.057129 0.405165 O\n0.840968 0.334146 0.377306 O\n0.994316 0.750117 0.428356 O\n0.937355 0.062915 0.347190 O\n0.866286 0.179809 0.680261 O\n0.249883 0.994316 0.571644 O\n0.750117 0.005684 0.571644 O\n0.659834 0.243362 0.860265 O\n0.223627 0.496296 0.332624 O\n0.250117 0.494316 0.928356 O\n0.003704 0.276373 0.832624 O\n0.334146 0.159032 0.622694 O\n0.412824 0.942871 0.405165 O\n0.606519 0.687954 0.427318 O\n0.723627 0.003704 0.167376 O\n0.776373 0.503704 0.332624 O\n0.557129 0.087176 0.905165 O\n",
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{
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{
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{
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"structure_string": "Nd4 Cl12 O12\n1.0\n4.610225 0.000000 0.000000\n0.000000 8.947421 0.000000\n0.000000 0.000000 17.404911\nNd Cl O\n4 12 12\ndirect\n0.551743 0.750000 0.027272 Nd\n0.448257 0.250000 0.972728 Nd\n0.051743 0.250000 0.472728 Nd\n0.948257 0.750000 0.527272 Nd\n0.787962 0.040315 0.580604 Cl\n0.212038 0.959685 0.419396 Cl\n0.287962 0.959685 0.919396 Cl\n0.212038 0.540315 0.419396 Cl\n0.712038 0.040315 0.080604 Cl\n0.787962 0.459685 0.580604 Cl\n0.712038 0.459685 0.080604 Cl\n0.287962 0.540315 0.919396 Cl\n0.157154 0.750000 0.668328 Cl\n0.842846 0.250000 0.331672 Cl\n0.657154 0.250000 0.831672 Cl\n0.342846 0.750000 0.168328 Cl\n0.757002 0.682023 0.819290 O\n0.242998 0.317977 0.180710 O\n0.257002 0.317977 0.680710 O\n0.242998 0.182023 0.180710 O\n0.742998 0.682023 0.319290 O\n0.757002 0.817977 0.819290 O\n0.742998 0.817977 0.319290 O\n0.257002 0.182023 0.680710 O\n0.444132 0.750000 0.501144 O\n0.555868 0.250000 0.498856 O\n0.944132 0.250000 0.998856 O\n0.055868 0.750000 0.001144 O\n",
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{
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