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{
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{
"id": "mp-757206",
"created_at": "2022-09-04T14:47:04.931792Z",
"structure_string": "Ba2 Ti12 O24\n1.0\n-5.117609 5.117609 4.479176\n5.117609 -5.117609 4.479176\n5.117609 5.117609 -4.479176\nBa Ti O\n2 12 24\ndirect\n0.219221 0.219221 0.000000 Ba\n0.780779 0.780779 0.000000 Ba\n0.314520 0.831820 0.815492 Ti\n0.650178 0.169906 0.820084 Ti\n0.685480 0.168180 0.184508 Ti\n0.499028 0.314520 0.482700 Ti\n0.830094 0.650178 0.480273 Ti\n0.168180 0.983672 0.482700 Ti\n0.500972 0.685480 0.517300 Ti\n0.169906 0.349822 0.519727 Ti\n0.831820 0.016328 0.517300 Ti\n0.983672 0.500972 0.815492 Ti\n0.349822 0.830094 0.179916 Ti\n0.016328 0.499028 0.184508 Ti\n0.802787 0.847875 0.650661 O\n0.501353 0.873642 0.709586 O\n0.835944 0.208233 0.709586 O\n0.821636 0.467639 0.955268 O\n0.487629 0.133632 0.955268 O\n0.539931 0.836117 0.376049 O\n0.460069 0.163883 0.623951 O\n0.791767 0.501353 0.627711 O\n0.512371 0.866368 0.044732 O\n0.498647 0.126358 0.290414 O\n0.133632 0.178364 0.646003 O\n0.467639 0.512371 0.646003 O\n0.197213 0.152125 0.349339 O\n0.532361 0.487629 0.353997 O\n0.163883 0.539931 0.703814 O\n0.152125 0.802787 0.954912 O\n0.208233 0.498647 0.372289 O\n0.873642 0.164056 0.372289 O\n0.126358 0.835944 0.627711 O\n0.847875 0.197213 0.045088 O\n0.178364 0.532361 0.044732 O\n0.836117 0.460069 0.296186 O\n0.164056 0.791767 0.290414 O\n0.866368 0.821636 0.353997 O\n",
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"formula_full": "Ba2 Ti12 O24",
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"spacegroup": 87
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{
"id": "mp-757205",
"created_at": "2022-09-04T14:42:44.581861Z",
"structure_string": "Y2 Th5 O13\n1.0\n22.738051 -1.962094 0.000000\n22.738051 1.962094 0.000000\n22.568739 0.000000 3.394227\nY Th O\n2 5 13\ndirect\n0.999358 0.999358 0.999358 Y\n0.716067 0.716067 0.716067 Y\n0.427342 0.427342 0.427342 Th\n0.142165 0.142165 0.142165 Th\n0.856700 0.856700 0.856700 Th\n0.285940 0.285940 0.285940 Th\n0.571299 0.571299 0.571299 Th\n0.392164 0.392164 0.392164 O\n0.030450 0.030450 0.030450 O\n0.106929 0.106929 0.106929 O\n0.464196 0.464196 0.464196 O\n0.749433 0.749433 0.749433 O\n0.821621 0.821621 0.821621 O\n0.178689 0.178689 0.178689 O\n0.250814 0.250814 0.250814 O\n0.536104 0.536104 0.536104 O\n0.893220 0.893220 0.893220 O\n0.607744 0.607744 0.607744 O\n0.326356 0.326356 0.326356 O\n0.964830 0.964830 0.964830 O\n",
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{
"id": "mp-757204",
"created_at": "2022-09-04T14:46:41.941048Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000012 0.000588 4.824588\n7.710389 -0.000068 -0.000020\n-0.000078 8.667901 0.001061\nLi Mn P O\n4 4 4 16\ndirect\n0.037209 0.141107 0.023504 Li\n0.537224 0.358887 0.523513 Li\n0.037389 0.641210 0.476453 Li\n0.537350 0.858789 0.976434 Li\n0.977243 0.529389 0.822044 Mn\n0.477390 0.970626 0.321970 Mn\n0.977160 0.029419 0.678360 Mn\n0.477181 0.470606 0.178405 Mn\n0.550256 0.245330 0.859324 P\n0.050313 0.254647 0.359299 P\n0.550349 0.745243 0.640620 P\n0.050375 0.754764 0.140638 P\n0.662103 0.087738 0.947232 O\n0.162132 0.412247 0.447209 O\n0.661896 0.587917 0.552223 O\n0.161889 0.912085 0.052232 O\n0.131195 0.086951 0.451352 O\n0.631089 0.413038 0.951390 O\n0.131379 0.586804 0.048941 O\n0.631398 0.913199 0.548927 O\n0.228898 0.239990 0.833108 O\n0.728948 0.259955 0.333112 O\n0.228997 0.739980 0.666913 O\n0.729024 0.760040 0.166938 O\n0.704823 0.256166 0.701768 O\n0.204879 0.243859 0.201742 O\n0.704932 0.755671 0.798170 O\n0.204979 0.744341 0.298178 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "mp-757203",
"created_at": "2022-09-04T14:39:34.412323Z",
"structure_string": "Na2 P2 H8 S2 O16\n1.0\n6.845333 0.000000 0.000000\n0.000000 5.472811 0.000000\n0.000000 0.833503 8.781412\nNa P H S O\n2 2 8 2 16\ndirect\n0.860416 0.986967 0.445727 Na\n0.360416 0.013033 0.554273 Na\n0.119549 0.881534 0.878323 P\n0.619549 0.118466 0.121677 P\n0.503873 0.913023 0.931478 H\n0.419834 0.845965 0.249161 H\n0.914023 0.571779 0.861188 H\n0.389873 0.548309 0.778090 H\n0.889873 0.451691 0.221910 H\n0.414023 0.428221 0.138812 H\n0.919834 0.154035 0.750839 H\n0.003873 0.086977 0.068522 H\n0.136040 0.541378 0.361354 S\n0.636040 0.458622 0.638646 S\n0.628061 0.948179 0.989788 O\n0.512072 0.986101 0.265689 O\n0.327316 0.824449 0.831859 O\n0.634034 0.715359 0.577673 O\n0.003600 0.645029 0.935615 O\n0.139292 0.720288 0.474473 O\n0.934386 0.596786 0.277216 O\n0.294509 0.595372 0.247249 O\n0.794509 0.404628 0.752751 O\n0.434386 0.403214 0.722784 O\n0.639292 0.279712 0.525527 O\n0.503600 0.354971 0.064385 O\n0.134034 0.284641 0.422327 O\n0.827316 0.175551 0.168141 O\n0.012072 0.013899 0.734311 O\n0.128061 0.051821 0.010212 O\n",
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"formula_full": "Na2 P2 H8 S2 O16",
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{
"id": "mp-757202",
"created_at": "2022-09-04T14:43:14.685487Z",
"structure_string": "K7 Bi9 O24\n1.0\n4.282188 8.567062 0.000000\n-4.282188 8.567062 0.000000\n0.000000 4.282465 8.567691\nK Bi O\n7 9 24\ndirect\n0.500000 0.500000 0.500000 K\n0.375317 0.375317 0.001359 K\n0.874911 0.874911 0.997764 K\n0.125089 0.125089 0.002236 K\n0.248225 0.248225 0.500012 K\n0.751775 0.751775 0.499988 K\n0.624683 0.624683 0.998641 K\n0.560377 0.063278 0.750833 Bi\n0.188108 0.686310 0.249433 Bi\n0.063278 0.560377 0.750833 Bi\n0.313690 0.811892 0.750567 Bi\n0.439623 0.936722 0.249167 Bi\n0.000000 0.000000 0.500000 Bi\n0.686310 0.188108 0.249433 Bi\n0.936722 0.439623 0.249167 Bi\n0.811892 0.313690 0.750567 Bi\n0.560134 0.061621 0.256620 O\n0.317792 0.317792 0.743662 O\n0.560136 0.560136 0.745075 O\n0.439864 0.439864 0.254925 O\n0.061621 0.560134 0.256620 O\n0.287358 0.828054 0.268953 O\n0.439866 0.938379 0.743380 O\n0.244573 0.755427 0.000000 O\n0.171946 0.712642 0.731047 O\n0.500000 0.000000 0.000000 O\n0.344118 0.886086 0.500200 O\n0.113914 0.655882 0.499800 O\n0.942332 0.942332 0.269792 O\n0.057668 0.057668 0.730208 O\n0.173222 0.173222 0.268671 O\n0.826778 0.826778 0.731329 O\n0.886086 0.344118 0.500200 O\n0.712642 0.171946 0.731047 O\n0.655882 0.113914 0.499800 O\n0.755427 0.244573 0.000000 O\n0.828054 0.287358 0.268953 O\n0.938379 0.439866 0.743380 O\n0.000000 0.500000 0.000000 O\n0.682208 0.682208 0.256338 O\n",
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{
"id": "mp-757201",
"created_at": "2022-09-04T14:45:16.398810Z",
"structure_string": "Li4 Fe3 O8\n1.0\n5.108603 -2.782416 0.000000\n5.108603 2.782416 0.000000\n3.593152 0.000000 4.574814\nLi Fe O\n4 3 8\ndirect\n0.999099 0.999099 0.999099 Li\n0.499132 0.001962 0.001962 Li\n0.001962 0.499132 0.001962 Li\n0.001962 0.001962 0.499132 Li\n0.987894 0.507060 0.507060 Fe\n0.507060 0.987894 0.507060 Fe\n0.507060 0.507060 0.987894 Fe\n0.747212 0.747212 0.747212 O\n0.722424 0.242360 0.242360 O\n0.242360 0.722424 0.242360 O\n0.262231 0.262231 0.262231 O\n0.242360 0.242360 0.722424 O\n0.272244 0.752977 0.752977 O\n0.752977 0.272244 0.752977 O\n0.752977 0.752977 0.272244 O\n",
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"formula_full": "Li4 Fe3 O8",
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{
"id": "mp-757200",
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"structure_string": "Li6 Si4 Bi6 O20\n1.0\n6.905482 0.000000 0.000000\n0.000000 5.455064 0.000000\n0.000000 0.389376 12.904011\nLi Si Bi O\n6 4 6 20\ndirect\n0.269156 0.016297 0.463031 Li\n0.517335 0.979996 0.265840 Li\n0.482665 0.979996 0.765840 Li\n0.730844 0.016297 0.963031 Li\n0.961620 0.473779 0.058014 Li\n0.038380 0.473779 0.558014 Li\n0.262038 0.532175 0.341844 Si\n0.212215 0.004818 0.002516 Si\n0.737962 0.532175 0.841844 Si\n0.787785 0.004818 0.502516 Si\n0.257429 0.446692 0.824990 Bi\n0.492026 0.490287 0.594676 Bi\n0.507974 0.490287 0.094676 Bi\n0.742571 0.446692 0.324990 Bi\n0.033080 0.950886 0.711993 Bi\n0.966920 0.950886 0.211993 Bi\n0.321095 0.818502 0.345786 O\n0.256242 0.392040 0.457811 O\n0.220635 0.015503 0.873538 O\n0.198076 0.289887 0.041644 O\n0.299613 0.738235 0.698521 O\n0.235929 0.254524 0.677177 O\n0.411321 0.881997 0.050890 O\n0.417779 0.373111 0.269536 O\n0.582221 0.373111 0.769536 O\n0.588679 0.881997 0.550890 O\n0.678905 0.818502 0.845786 O\n0.779365 0.015503 0.373538 O\n0.801924 0.289887 0.541644 O\n0.743758 0.392040 0.957811 O\n0.764071 0.254524 0.177177 O\n0.700387 0.738235 0.198521 O\n0.987716 0.854610 0.541636 O\n0.948418 0.516717 0.780512 O\n0.051582 0.516717 0.280512 O\n0.012284 0.854610 0.041636 O\n",
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"formula_full": "Li6 Si4 Bi6 O20",
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{
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{
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}