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{
"id": "mp-1238387",
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"structure_string": "Cd6 P12 H24 O48\n1.0\n6.997280 -7.634851 0.000000\n6.997280 7.634851 0.000000\n-1.333236 0.000000 10.270120\nCd P H O\n6 12 24 48\ndirect\n0.660988 0.279845 0.867038 Cd\n0.867038 0.660988 0.279845 Cd\n0.279845 0.867038 0.660988 Cd\n0.339012 0.720155 0.132962 Cd\n0.132962 0.339012 0.720155 Cd\n0.720155 0.132962 0.339012 Cd\n0.392405 0.021320 0.284052 P\n0.284052 0.392405 0.021320 P\n0.021320 0.284052 0.392405 P\n0.607595 0.978680 0.715948 P\n0.715948 0.607595 0.978680 P\n0.978680 0.715948 0.607595 P\n0.217814 0.109377 0.479779 P\n0.479779 0.217814 0.109377 P\n0.109377 0.479779 0.217814 P\n0.782186 0.890623 0.520221 P\n0.520221 0.782186 0.890623 P\n0.890623 0.520221 0.782186 P\n0.757438 0.326050 0.567486 H\n0.567486 0.757438 0.326050 H\n0.326050 0.567486 0.757438 H\n0.242562 0.673950 0.432514 H\n0.432514 0.242562 0.673950 H\n0.673950 0.432514 0.242562 H\n0.535117 0.609080 0.300136 H\n0.300136 0.535117 0.609080 H\n0.609080 0.300136 0.535117 H\n0.464883 0.390920 0.699864 H\n0.699864 0.464883 0.390920 H\n0.390920 0.699864 0.464883 H\n0.293729 0.068703 0.875809 H\n0.875809 0.293729 0.068703 H\n0.068703 0.875809 0.293729 H\n0.706271 0.931297 0.124191 H\n0.124191 0.706271 0.931297 H\n0.931297 0.124191 0.706271 H\n0.853673 0.953954 0.175754 H\n0.175754 0.853673 0.953954 H\n0.953954 0.175754 0.853673 H\n0.146327 0.046046 0.824246 H\n0.824246 0.146327 0.046046 H\n0.046046 0.824246 0.146327 H\n0.903472 0.251026 0.296180 O\n0.296180 0.903472 0.251026 O\n0.251026 0.296180 0.903472 O\n0.096528 0.748974 0.703820 O\n0.703820 0.096528 0.748974 O\n0.748974 0.703820 0.096528 O\n0.997494 0.670703 0.469298 O\n0.469298 0.997494 0.670703 O\n0.670703 0.469298 0.997494 O\n0.002506 0.329297 0.530702 O\n0.530702 0.002506 0.329297 O\n0.329297 0.530702 0.002506 O\n0.205036 0.597990 0.255475 O\n0.255475 0.205036 0.597990 O\n0.597990 0.255475 0.205036 O\n0.794964 0.402010 0.744525 O\n0.744525 0.794964 0.402010 O\n0.402010 0.744525 0.794964 O\n0.969623 0.498461 0.177962 O\n0.177962 0.969623 0.498461 O\n0.498461 0.177962 0.969623 O\n0.030377 0.501539 0.822038 O\n0.822038 0.030377 0.501539 O\n0.501539 0.822038 0.030377 O\n0.390842 0.338255 0.121411 O\n0.121411 0.390842 0.338255 O\n0.338255 0.121411 0.390842 O\n0.609158 0.661745 0.878589 O\n0.878589 0.609158 0.661745 O\n0.661745 0.878589 0.609158 O\n0.385652 0.102826 0.157587 O\n0.157587 0.385652 0.102826 O\n0.102826 0.157587 0.385652 O\n0.614348 0.897174 0.842413 O\n0.842413 0.614348 0.897174 O\n0.897174 0.842413 0.614348 O\n0.492296 0.690424 0.309401 O\n0.309401 0.492296 0.690424 O\n0.690424 0.309401 0.492296 O\n0.507704 0.309576 0.690599 O\n0.690599 0.507704 0.309576 O\n0.309576 0.690599 0.507704 O\n0.000531 0.151869 0.777162 O\n0.777162 0.000531 0.151869 O\n0.151869 0.777162 0.000531 O\n0.999469 0.848131 0.222838 O\n0.222838 0.999469 0.848131 O\n0.848131 0.222838 0.999469 O\n",
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"formula_reduced": "CdP2(HO2)4",
"formula_anonymous": "AB2C4D8",
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{
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"created_at": "2022-09-04T14:39:07.952751Z",
"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n2.855009 4.940842 0.000000\n-2.855009 4.940842 0.000000\n0.000000 3.298466 4.660618\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750016 0.750016 0.249236 Sr\n0.249984 0.249984 0.750764 Sr\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Ti\n0.267267 0.755171 0.232539 O\n0.244829 0.732733 0.767461 O\n0.732733 0.244829 0.767461 O\n0.755171 0.267267 0.232539 O\n0.256204 0.256204 0.267153 O\n0.743796 0.743796 0.732847 O\n",
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{
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"structure_string": "Ba3 Mn15 S18 O72\n1.0\n7.441670 -12.889351 0.000000\n7.441670 12.889351 0.000000\n0.000000 0.000000 7.715777\nBa Mn S O\n3 15 18 72\ndirect\n0.666667 0.333333 0.997804 Ba\n0.333333 0.666667 0.002196 Ba\n0.000000 0.000000 0.500000 Ba\n0.996581 0.345009 0.963264 Mn\n0.003419 0.654991 0.036736 Mn\n0.348428 0.003419 0.963264 Mn\n0.651572 0.996581 0.036736 Mn\n0.654991 0.651572 0.963264 Mn\n0.345009 0.348428 0.036736 Mn\n0.678395 0.681381 0.546995 Mn\n0.321605 0.318619 0.453005 Mn\n0.002986 0.321605 0.546995 Mn\n0.997014 0.678395 0.453005 Mn\n0.318619 0.997014 0.546995 Mn\n0.681381 0.002986 0.453005 Mn\n0.666667 0.333333 0.497149 Mn\n0.333333 0.666667 0.502851 Mn\n0.000000 0.000000 0.000000 Mn\n0.869164 0.097122 0.760111 S\n0.130836 0.902878 0.239889 S\n0.227958 0.130836 0.760111 S\n0.772042 0.869164 0.239889 S\n0.902878 0.772042 0.760111 S\n0.097122 0.227958 0.239889 S\n0.560161 0.794250 0.741725 S\n0.439839 0.205750 0.258275 S\n0.234090 0.439839 0.741725 S\n0.765910 0.560161 0.258275 S\n0.205750 0.765910 0.741725 S\n0.794250 0.234090 0.258275 S\n0.893559 0.462386 0.737753 S\n0.106441 0.537614 0.262247 S\n0.568828 0.106441 0.737753 S\n0.431172 0.893559 0.262247 S\n0.537614 0.431172 0.737753 S\n0.462386 0.568828 0.262247 S\n0.454721 0.704315 0.706833 O\n0.545279 0.295685 0.293167 O\n0.249594 0.545279 0.706833 O\n0.750406 0.454721 0.293167 O\n0.295685 0.750406 0.706833 O\n0.704315 0.249594 0.293167 O\n0.892177 0.505086 0.912742 O\n0.107823 0.494914 0.087258 O\n0.612910 0.107823 0.912742 O\n0.387090 0.892177 0.087258 O\n0.494914 0.387090 0.912742 O\n0.505086 0.612910 0.087258 O\n0.833255 0.056666 0.580679 O\n0.166745 0.943334 0.419321 O\n0.223411 0.166745 0.580679 O\n0.776589 0.833255 0.419321 O\n0.943334 0.776589 0.580679 O\n0.056666 0.223411 0.419321 O\n0.619234 0.078305 0.602087 O\n0.380766 0.921695 0.397913 O\n0.459071 0.380766 0.602087 O\n0.540929 0.619234 0.397913 O\n0.921695 0.540929 0.602087 O\n0.078305 0.459071 0.397913 O\n0.957354 0.080278 0.802605 O\n0.042646 0.919722 0.197395 O\n0.122924 0.042646 0.802605 O\n0.877076 0.957354 0.197395 O\n0.919722 0.877076 0.802605 O\n0.080278 0.122924 0.197395 O\n0.969557 0.423693 0.743752 O\n0.030443 0.576307 0.256248 O\n0.454136 0.030443 0.743752 O\n0.545864 0.969557 0.256248 O\n0.576307 0.545864 0.743752 O\n0.423693 0.454136 0.256248 O\n0.908514 0.211872 0.761467 O\n0.091486 0.788128 0.238533 O\n0.303357 0.091486 0.761467 O\n0.696643 0.908514 0.238533 O\n0.788128 0.696643 0.761467 O\n0.211872 0.303357 0.238533 O\n0.556216 0.843401 0.908002 O\n0.443784 0.156599 0.091998 O\n0.287185 0.443784 0.908002 O\n0.712815 0.556216 0.091998 O\n0.156599 0.712815 0.908002 O\n0.843401 0.287185 0.091998 O\n0.592002 0.866894 0.595745 O\n0.407998 0.133106 0.404255 O\n0.274891 0.407998 0.595745 O\n0.725109 0.592002 0.404255 O\n0.133106 0.725109 0.595745 O\n0.866894 0.274891 0.404255 O\n0.788322 0.372549 0.701801 O\n0.211678 0.627451 0.298199 O\n0.584227 0.211678 0.701801 O\n0.415773 0.788322 0.298199 O\n0.627451 0.415773 0.701801 O\n0.372549 0.584227 0.298199 O\n0.634919 0.754430 0.760134 O\n0.365081 0.245570 0.239866 O\n0.119511 0.365081 0.760134 O\n0.880489 0.634919 0.239866 O\n0.245570 0.880489 0.760134 O\n0.754430 0.119511 0.239866 O\n0.784903 0.043166 0.885657 O\n0.215097 0.956834 0.114343 O\n0.258263 0.215097 0.885657 O\n0.741737 0.784903 0.114343 O\n0.956834 0.741737 0.885657 O\n0.043166 0.258263 0.114343 O\n",
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"formula_full": "Ba3 Mn15 S18 O72",
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{
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{
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"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.849405 0.000000 0.000000\n-0.052055 8.847814 0.000000\n-0.025667 -0.131013 10.230288\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.246501 0.917058 0.879039 Na\n0.999686 0.743130 0.622914 Na\n0.500033 0.742605 0.622610 Na\n0.999744 0.742877 0.126281 Na\n0.500409 0.742847 0.125769 Na\n0.501682 0.255724 0.874814 Na\n0.499722 0.257053 0.376714 Na\n0.000834 0.256215 0.376081 Na\n0.249818 0.915580 0.377047 Li\n0.980371 0.270817 0.883114 Li\n0.756485 0.088662 0.625070 Li\n0.753439 0.090384 0.124421 Li\n0.748789 0.638233 0.886521 Mn\n0.750491 0.638961 0.388090 Mn\n0.248067 0.356786 0.613364 Mn\n0.246919 0.357452 0.109944 Mn\n0.244374 0.585791 0.851708 P\n0.250286 0.595308 0.352458 P\n0.753858 0.401776 0.648446 P\n0.749237 0.404581 0.145135 P\n0.758357 0.953708 0.868147 C\n0.750221 0.947881 0.366051 C\n0.249189 0.052446 0.628760 C\n0.249358 0.058104 0.138139 C\n0.251245 0.909467 0.649220 O\n0.251218 0.914025 0.155868 O\n0.750712 0.909563 0.989191 O\n0.751211 0.905988 0.488065 O\n0.748345 0.853207 0.773213 O\n0.751035 0.845940 0.272507 O\n0.065500 0.682570 0.893252 O\n0.431162 0.673332 0.896489 O\n0.069532 0.691731 0.391751 O\n0.432508 0.692131 0.391495 O\n0.248029 0.570488 0.699622 O\n0.749663 0.562455 0.587725 O\n0.249124 0.570101 0.200791 O\n0.749840 0.564356 0.083961 O\n0.232519 0.423167 0.908309 O\n0.766057 0.422337 0.800815 O\n0.250866 0.437368 0.416542 O\n0.754226 0.427554 0.296842 O\n0.569036 0.307098 0.612259 O\n0.930745 0.306558 0.602362 O\n0.566006 0.309317 0.106777 O\n0.927144 0.307654 0.100451 O\n0.247093 0.147499 0.727845 O\n0.246893 0.149452 0.238836 O\n0.249288 0.103383 0.509597 O\n0.249644 0.115378 0.021239 O\n0.774841 0.095249 0.839356 O\n0.748646 0.088653 0.334985 O\n",
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{
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{
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"structure_string": "Mg14 Cr1 Fe1 O16\n1.0\n8.520667 0.000000 0.000000\n0.000000 8.520667 0.000000\n0.000000 0.000000 4.308859\nMg Cr Fe O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.248281 0.500000 Mg\n0.000000 0.751719 0.500000 Mg\n0.500000 0.248897 0.500000 Mg\n0.500000 0.751103 0.500000 Mg\n0.248281 0.000000 0.500000 Mg\n0.248897 0.500000 0.500000 Mg\n0.751719 0.000000 0.500000 Mg\n0.751103 0.500000 0.500000 Mg\n0.248033 0.248033 0.000000 Mg\n0.248033 0.751967 0.000000 Mg\n0.751967 0.248033 0.000000 Mg\n0.751967 0.751967 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.258797 0.000000 0.000000 O\n0.252192 0.500000 0.000000 O\n0.741203 0.000000 0.000000 O\n0.747808 0.500000 0.000000 O\n0.250388 0.250388 0.500000 O\n0.250388 0.749612 0.500000 O\n0.749612 0.250388 0.500000 O\n0.749612 0.749612 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258797 0.000000 O\n0.000000 0.741203 0.000000 O\n0.500000 0.252192 0.000000 O\n0.500000 0.747808 0.000000 O\n",
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