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{
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{
"id": "mp-1044375",
"created_at": "2022-09-04T14:40:43.231589Z",
"structure_string": "Mg2 Ti2 P6 W2 O24\n1.0\n8.675542 -0.194116 -0.135373\n4.416531 7.469736 -0.135373\n4.416531 2.454387 7.056293\nMg Ti P W O\n2 2 6 2 24\ndirect\n0.001705 0.001705 0.001705 Mg\n0.501705 0.501705 0.501705 Mg\n0.146537 0.146537 0.146537 Ti\n0.646537 0.646537 0.646537 Ti\n0.042452 0.447313 0.759695 P\n0.447313 0.759695 0.042452 P\n0.759695 0.042452 0.447313 P\n0.259695 0.947313 0.542452 P\n0.542452 0.259695 0.947313 P\n0.947313 0.542452 0.259695 P\n0.357983 0.357983 0.357983 W\n0.857983 0.857983 0.857983 W\n0.093115 0.501980 0.332759 O\n0.332759 0.093115 0.501980 O\n0.051714 0.252496 0.916031 O\n0.501980 0.332759 0.093115 O\n0.001980 0.593115 0.832760 O\n0.236332 0.433782 0.603709 O\n0.252496 0.916031 0.051714 O\n0.433782 0.603709 0.236332 O\n0.192403 0.002331 0.377659 O\n0.603709 0.236332 0.433782 O\n0.103709 0.933782 0.736332 O\n0.377659 0.192403 0.002331 O\n0.593115 0.832760 0.001980 O\n0.916031 0.051714 0.252496 O\n0.416031 0.752496 0.551714 O\n0.832760 0.001980 0.593115 O\n0.551714 0.416031 0.752496 O\n0.736332 0.103709 0.933782 O\n0.752496 0.551714 0.416031 O\n0.002331 0.377659 0.192403 O\n0.502331 0.692403 0.877659 O\n0.933782 0.736332 0.103709 O\n0.692403 0.877659 0.502331 O\n0.877659 0.502331 0.692403 O\n",
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{
"id": "mp-1667834",
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"structure_string": "Li8 Ti2 Co10 O24\n1.0\n2.513519 4.366160 0.035321\n-2.396145 4.367692 10.071309\n7.377059 -4.246976 0.000309\nLi Ti Co O\n8 2 10 24\ndirect\n0.030836 0.746324 0.129250 Li\n0.518693 0.744459 0.628187 Li\n0.481279 0.255598 0.884064 Li\n0.969164 0.253620 0.382684 Li\n0.527341 0.745485 0.119391 Li\n0.020496 0.745303 0.620212 Li\n0.979457 0.254683 0.875192 Li\n0.472701 0.254540 0.373709 Li\n0.000168 0.999958 0.004762 Ti\n0.499845 0.000079 0.506439 Ti\n0.749954 0.500094 0.750346 Co\n0.000000 0.000026 0.662866 Co\n0.500001 0.999964 0.163582 Co\n0.499976 0.000010 0.834729 Co\n0.999999 0.999971 0.331366 Co\n0.250065 0.499912 0.250253 Co\n0.250320 0.500319 0.914933 Co\n0.749692 0.499686 0.414631 Co\n0.750387 0.500224 0.085731 Co\n0.249623 0.499781 0.585524 Co\n0.374546 0.595080 0.797288 O\n0.874281 0.595142 0.298015 O\n0.625526 0.404876 0.202206 O\n0.125687 0.404905 0.702922 O\n0.786360 0.099487 0.546836 O\n0.288445 0.099831 0.048812 O\n0.213744 0.900437 0.447350 O\n0.711423 0.900243 0.949033 O\n0.303826 0.114071 0.728744 O\n0.795782 0.114083 0.226240 O\n0.204260 0.885796 0.112117 O\n0.696086 0.886011 0.614677 O\n0.803877 0.110615 0.881227 O\n0.278304 0.102681 0.378039 O\n0.721723 0.897337 0.275422 O\n0.196098 0.889347 0.770570 O\n0.138625 0.401158 0.033123 O\n0.637134 0.400632 0.532995 O\n0.638576 0.401182 0.868538 O\n0.137540 0.400053 0.368216 O\n0.362907 0.599374 0.132359 O\n0.861379 0.598858 0.631941 O\n0.862441 0.599947 0.968154 O\n0.361434 0.598818 0.467323 O\n",
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"elements": [
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"formula_full": "Li8 Ti2 Co10 O24",
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{
"id": "mp-772779",
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"structure_string": "Ca4 Se8 O24\n1.0\n12.058558 0.000000 0.000000\n0.000000 6.989337 0.000000\n0.000000 5.342245 7.104796\nCa Se O\n4 8 24\ndirect\n0.913021 0.315334 0.737517 Ca\n0.413021 0.684666 0.762483 Ca\n0.586979 0.315334 0.237517 Ca\n0.086979 0.684666 0.262483 Ca\n0.134297 0.720966 0.657957 Se\n0.634297 0.279034 0.842043 Se\n0.181638 0.151224 0.744125 Se\n0.681638 0.848776 0.755875 Se\n0.318362 0.151224 0.244125 Se\n0.818362 0.848776 0.255875 Se\n0.365703 0.720966 0.157957 Se\n0.865703 0.279034 0.342043 Se\n0.086841 0.348882 0.588216 O\n0.512903 0.380831 0.737581 O\n0.867685 0.153562 0.570884 O\n0.734836 0.486399 0.728815 O\n0.234836 0.513601 0.771185 O\n0.603387 0.011228 0.562941 O\n0.012903 0.619169 0.762419 O\n0.195267 0.950002 0.657432 O\n0.695267 0.049998 0.842568 O\n0.413159 0.348882 0.088216 O\n0.103387 0.988772 0.937059 O\n0.632315 0.153562 0.070884 O\n0.367685 0.846438 0.929116 O\n0.896613 0.011228 0.062941 O\n0.586841 0.651118 0.911784 O\n0.304733 0.950002 0.157432 O\n0.804733 0.049998 0.342568 O\n0.987097 0.380831 0.237581 O\n0.396613 0.988772 0.437059 O\n0.765164 0.486399 0.228815 O\n0.265164 0.513601 0.271185 O\n0.132315 0.846438 0.429116 O\n0.487097 0.619169 0.262419 O\n0.913159 0.651118 0.411784 O\n",
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"volume": 598.8016249694853,
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"formula_full": "Ca4 Se8 O24",
"formula_reduced": "Ca(SeO3)2",
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"spacegroup": 14
},
{
"id": "mp-1221525",
"created_at": "2022-09-04T14:40:43.268104Z",
"structure_string": "Mo2 N1\n1.0\n5.071248 -1.453493 0.000000\n5.071248 1.453493 0.000000\n4.654656 0.000000 2.482816\nMo N\n2 1\ndirect\n0.756956 0.756956 0.756956 Mo\n0.243044 0.243044 0.243044 Mo\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-23386",
"created_at": "2022-09-04T14:40:43.281540Z",
"structure_string": "Sn24 S12 I24\n1.0\n4.429926 0.000000 0.000000\n0.000000 18.456629 0.000000\n0.000000 0.000000 26.536764\nSn S I\n24 12 24\ndirect\n0.750000 0.986329 0.435782 Sn\n0.250000 0.013671 0.564218 Sn\n0.750000 0.486329 0.064218 Sn\n0.250000 0.513671 0.935782 Sn\n0.750000 0.163420 0.340260 Sn\n0.250000 0.836580 0.659740 Sn\n0.750000 0.663420 0.159740 Sn\n0.250000 0.336580 0.840260 Sn\n0.750000 0.309082 0.449986 Sn\n0.250000 0.690918 0.550014 Sn\n0.750000 0.809082 0.050014 Sn\n0.250000 0.190918 0.949986 Sn\n0.750000 0.464551 0.561134 Sn\n0.250000 0.035449 0.061134 Sn\n0.750000 0.964551 0.938866 Sn\n0.250000 0.681065 0.315412 Sn\n0.750000 0.318935 0.684588 Sn\n0.250000 0.181065 0.184588 Sn\n0.750000 0.818935 0.815412 Sn\n0.250000 0.996879 0.276674 Sn\n0.750000 0.003121 0.723326 Sn\n0.250000 0.496879 0.223326 Sn\n0.750000 0.503121 0.776674 Sn\n0.250000 0.535449 0.438866 Sn\n0.750000 0.949911 0.038038 S\n0.250000 0.550089 0.538038 S\n0.750000 0.449911 0.461962 S\n0.250000 0.481280 0.839233 S\n0.750000 0.518720 0.160767 S\n0.250000 0.981280 0.660767 S\n0.750000 0.018720 0.339233 S\n0.250000 0.638929 0.221017 S\n0.750000 0.361071 0.778983 S\n0.250000 0.138929 0.278983 S\n0.750000 0.861071 0.721017 S\n0.250000 0.050089 0.961962 S\n0.750000 0.542674 0.318034 I\n0.250000 0.457326 0.681966 I\n0.750000 0.042674 0.181966 I\n0.250000 0.957326 0.818034 I\n0.750000 0.624692 0.915345 I\n0.250000 0.375308 0.084655 I\n0.750000 0.124692 0.584655 I\n0.250000 0.875308 0.415345 I\n0.750000 0.676979 0.456018 I\n0.250000 0.323021 0.543982 I\n0.750000 0.176979 0.043982 I\n0.250000 0.823021 0.956018 I\n0.750000 0.788888 0.282220 I\n0.250000 0.211112 0.717780 I\n0.750000 0.288888 0.217780 I\n0.250000 0.711112 0.782220 I\n0.750000 0.163017 0.868445 I\n0.250000 0.836983 0.131555 I\n0.750000 0.663017 0.631555 I\n0.250000 0.336983 0.368445 I\n0.750000 0.374644 0.935775 I\n0.250000 0.625356 0.064225 I\n0.750000 0.874644 0.564225 I\n0.250000 0.125356 0.435775 I\n",
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{
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"structure_string": "Nd4 In2\n1.0\n2.785086 -4.823911 0.000000\n2.785086 4.823911 0.000000\n0.000000 0.000000 6.953108\nNd In\n4 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
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{
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"structure_string": "Si12 O24\n1.0\n7.627952 5.247961 0.000000\n-7.627952 5.247961 0.000000\n0.000000 2.412513 8.676908\nSi O\n12 24\ndirect\n0.201308 0.000280 0.692315 Si\n0.000280 0.201308 0.692315 Si\n0.908944 0.703444 0.669659 Si\n0.404119 0.889283 0.895796 Si\n0.098804 0.300000 0.329144 Si\n0.596101 0.104745 0.106921 Si\n0.800016 0.005405 0.314711 Si\n0.889283 0.404119 0.895796 Si\n0.005405 0.800016 0.314711 Si\n0.703444 0.908944 0.669659 Si\n0.104745 0.596101 0.106921 Si\n0.300000 0.098804 0.329144 Si\n0.687743 0.009447 0.194537 O\n0.245696 0.245696 0.281979 O\n0.993317 0.496439 0.006010 O\n0.765451 0.765451 0.695312 O\n0.064643 0.823179 0.716024 O\n0.271475 0.721724 0.997068 O\n0.496439 0.993317 0.006010 O\n0.120414 0.120414 0.743931 O\n0.181029 0.939647 0.287495 O\n0.009447 0.687743 0.194537 O\n0.296831 0.066902 0.512718 O\n0.823179 0.064643 0.716024 O\n0.939647 0.181029 0.287495 O\n0.991891 0.323464 0.800593 O\n0.953497 0.693885 0.490223 O\n0.693885 0.953497 0.490223 O\n0.144321 0.478267 0.232813 O\n0.721724 0.271475 0.997068 O\n0.876796 0.876796 0.284272 O\n0.323464 0.991891 0.800593 O\n0.478267 0.144321 0.232813 O\n0.849662 0.527499 0.776560 O\n0.527499 0.849662 0.776560 O\n0.066902 0.296831 0.512718 O\n",
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{
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