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{
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{
"id": "mp-1003638",
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"structure_string": "Na2 Mn16 O32\n1.0\n0.000084 -0.000940 -5.908482\n-9.912860 -0.001390 0.000002\n-0.087932 9.994787 0.001711\nNa Mn O\n2 16 32\ndirect\n0.249499 0.492781 0.501231 Na\n0.500897 0.992756 0.001256 Na\n0.499687 0.341508 0.835620 Mn\n0.998260 0.340504 0.835888 Mn\n0.501785 0.825517 0.650276 Mn\n0.000155 0.825231 0.651215 Mn\n0.000187 0.160234 0.350634 Mn\n0.501560 0.159812 0.351373 Mn\n0.998090 0.645448 0.166254 Mn\n0.499720 0.644100 0.166597 Mn\n0.751179 0.840696 0.335298 Mn\n0.249910 0.841926 0.335505 Mn\n0.749535 0.324620 0.151044 Mn\n0.248564 0.324899 0.149993 Mn\n0.749282 0.660834 0.850756 Mn\n0.248935 0.660312 0.851698 Mn\n0.751623 0.145009 0.666357 Mn\n0.250577 0.144034 0.666376 Mn\n0.747841 0.664855 0.043639 O\n0.249272 0.664395 0.044186 O\n0.751077 0.035356 0.340133 O\n0.250995 0.035787 0.339624 O\n0.751376 0.950260 0.661731 O\n0.251175 0.949824 0.662406 O\n0.747899 0.320775 0.958189 O\n0.249217 0.321210 0.957673 O\n0.001822 0.163953 0.543623 O\n0.500958 0.163372 0.543953 O\n0.998476 0.535166 0.840388 O\n0.498806 0.535522 0.839598 O\n0.499006 0.450098 0.162286 O\n0.998485 0.450561 0.161310 O\n0.500792 0.822162 0.457780 O\n0.001428 0.821553 0.458161 O\n0.499589 0.841184 0.204703 O\n0.000252 0.841136 0.207785 O\n0.999817 0.194632 0.158632 O\n0.500665 0.191421 0.157560 O\n0.000332 0.145342 0.794405 O\n0.499442 0.144909 0.797419 O\n0.500637 0.793529 0.844429 O\n0.000131 0.790551 0.843391 O\n0.749789 0.339370 0.707037 O\n0.250847 0.340051 0.704095 O\n0.749890 0.695229 0.658236 O\n0.249782 0.692585 0.657207 O\n0.749813 0.646912 0.295188 O\n0.250946 0.646072 0.297943 O\n0.749968 0.289893 0.343851 O\n0.250026 0.292321 0.344751 O\n",
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"formula_full": "Na2 Mn16 O32",
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"spacegroup": 13
},
{
"id": "mp-1650411",
"created_at": "2022-09-04T14:41:54.302480Z",
"structure_string": "Sr10 Fe8 Mo2 O30\n1.0\n3.952379 -0.000292 3.954004\n-7.920522 7.904899 7.923195\n-0.008604 -7.915111 3.963196\nSr Fe Mo O\n10 8 2 30\ndirect\n0.600854 0.299609 0.797712 Sr\n0.599715 0.799030 0.800177 Sr\n0.206004 0.102396 0.587510 Sr\n0.207235 0.601421 0.585503 Sr\n0.994722 0.498368 0.010693 Sr\n0.993715 0.998115 0.012549 Sr\n0.395152 0.204136 0.209074 Sr\n0.396030 0.703819 0.207838 Sr\n0.804602 0.397363 0.390873 Sr\n0.804780 0.897108 0.390250 Sr\n0.999125 0.755448 0.001905 Fe\n0.201961 0.345608 0.595684 Fe\n0.802987 0.651691 0.393530 Fe\n0.999839 0.254035 0.999863 Fe\n0.201479 0.845573 0.596700 Fe\n0.396682 0.450572 0.206845 Fe\n0.397527 0.948693 0.204726 Fe\n0.802314 0.152415 0.395046 Fe\n0.599261 0.049686 0.801501 Mo\n0.600289 0.549356 0.799413 Mo\n0.097792 0.298385 0.803635 O\n0.099005 0.796400 0.803625 O\n0.095734 0.051640 0.300208 O\n0.104761 0.549435 0.295399 O\n0.604471 0.051589 0.300625 O\n0.601571 0.549537 0.295842 O\n0.698085 0.095632 0.604754 O\n0.699288 0.597819 0.602297 O\n0.499164 0.004155 0.002302 O\n0.503523 0.499097 0.993433 O\n0.902895 0.199975 0.193020 O\n0.904874 0.701137 0.190711 O\n0.298702 0.400481 0.401832 O\n0.295859 0.907366 0.408628 O\n0.504794 0.246387 0.500828 O\n0.501860 0.750284 0.498888 O\n0.699067 0.349882 0.100386 O\n0.698187 0.850507 0.100010 O\n0.993584 0.246461 0.500528 O\n0.999421 0.750066 0.498589 O\n0.199116 0.349732 0.100041 O\n0.202941 0.850516 0.099866 O\n0.893079 0.451537 0.702972 O\n0.889632 0.952045 0.710836 O\n0.305559 0.148879 0.898025 O\n0.306376 0.646866 0.896863 O\n0.403673 0.451698 0.703013 O\n0.399964 0.952163 0.710769 O\n0.796558 0.148974 0.897938 O\n0.796190 0.646912 0.896742 O\n",
"nsites": 50,
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"elements": [
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"formula_full": "Sr10 Fe8 Mo2 O30",
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"updated_at": "2021-11-28T01:35:36.427000Z",
"spacegroup": 8
},
{
"id": "mp-1197273",
"created_at": "2022-09-04T14:41:55.256872Z",
"structure_string": "Yb4 S6 O40\n1.0\n0.000000 -6.519946 0.000000\n-6.623175 3.259973 1.072566\n-0.867532 0.000000 -17.950852\nYb S O\n4 6 40\ndirect\n0.680939 0.333234 0.390903 Yb\n0.347705 0.666766 0.109097 Yb\n0.319061 0.666766 0.609097 Yb\n0.652295 0.333234 0.890903 Yb\n0.731228 0.414186 0.091474 S\n0.317042 0.585814 0.408526 S\n0.268772 0.585814 0.908526 S\n0.682958 0.414186 0.591474 S\n0.802858 0.000000 0.250000 S\n0.197142 0.000000 0.750000 S\n0.986868 0.097992 0.197446 O\n0.888876 0.902008 0.302554 O\n0.013132 0.902008 0.802554 O\n0.111124 0.097992 0.697446 O\n0.748321 0.150782 0.294242 O\n0.597538 0.849218 0.205758 O\n0.251679 0.849218 0.705758 O\n0.402462 0.150782 0.794242 O\n0.725935 0.317017 0.015291 O\n0.408918 0.682983 0.484709 O\n0.274065 0.682983 0.984709 O\n0.591082 0.317017 0.515291 O\n0.671254 0.260707 0.147527 O\n0.410548 0.739293 0.352473 O\n0.328746 0.739293 0.852473 O\n0.589452 0.260707 0.647527 O\n0.964073 0.569876 0.115813 O\n0.394197 0.430124 0.384187 O\n0.035927 0.430124 0.884187 O\n0.605803 0.569876 0.615813 O\n0.066203 0.500874 0.404843 O\n0.565328 0.499126 0.095157 O\n0.933797 0.499126 0.595157 O\n0.434672 0.500874 0.904843 O\n0.365264 0.004760 0.128161 O\n0.360505 0.995240 0.371839 O\n0.634736 0.995240 0.871839 O\n0.639495 0.004760 0.628161 O\n0.859819 0.117128 0.464220 O\n0.742692 0.882872 0.035780 O\n0.140181 0.882872 0.535780 O\n0.257308 0.117128 0.964220 O\n0.734286 0.553706 0.292263 O\n0.180579 0.446294 0.207737 O\n0.265714 0.446294 0.707737 O\n0.819421 0.553706 0.792263 O\n0.174703 0.196662 0.010605 O\n0.978041 0.803338 0.489395 O\n0.825297 0.803338 0.989395 O\n0.021959 0.196662 0.510605 O\n",
"nsites": 50,
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"elements": [
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"volume": 781.233748890368,
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"formula_full": "Yb4 S6 O40",
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"updated_at": "2021-11-28T01:35:33.218000Z",
"spacegroup": 15
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{
"id": "mp-853024",
"created_at": "2022-09-04T14:41:48.582367Z",
"structure_string": "La8 Al12 O30\n1.0\n2.522345 6.483856 0.000000\n-2.522345 6.483856 0.000000\n0.000000 1.373799 21.148297\nLa Al O\n8 12 30\ndirect\n0.330536 0.939514 0.450140 La\n0.351916 0.936027 0.647142 La\n0.952888 0.323949 0.950917 La\n0.929775 0.355962 0.147846 La\n0.063973 0.648084 0.352858 La\n0.060486 0.669464 0.549860 La\n0.644038 0.070225 0.852154 La\n0.676051 0.047112 0.049083 La\n0.787447 0.377516 0.335502 Al\n0.809539 0.347008 0.554671 Al\n0.344317 0.978752 0.274500 Al\n0.381505 0.787648 0.835055 Al\n0.352989 0.805329 0.054988 Al\n0.981133 0.344232 0.775438 Al\n0.021248 0.655683 0.725500 Al\n0.652992 0.190461 0.445329 Al\n0.622484 0.212553 0.664498 Al\n0.655768 0.018867 0.224562 Al\n0.194671 0.647011 0.945012 Al\n0.212352 0.618495 0.164945 Al\n0.869091 0.189031 0.629711 O\n0.430746 0.720281 0.327981 O\n0.459660 0.690226 0.552151 O\n0.974145 0.261397 0.261829 O\n0.194612 0.866240 0.130134 O\n0.722638 0.430119 0.828505 O\n0.968740 0.387519 0.388294 O\n0.693635 0.451780 0.052431 O\n0.263828 0.974609 0.761478 O\n0.085241 0.312175 0.542000 O\n0.906336 0.505973 0.697431 O\n0.494027 0.093664 0.302569 O\n0.387451 0.975291 0.886707 O\n0.318411 0.080890 0.040517 O\n0.687825 0.914759 0.458000 O\n0.612481 0.031260 0.611706 O\n0.507892 0.904174 0.196778 O\n0.095826 0.492108 0.803222 O\n0.919110 0.681589 0.959483 O\n0.738603 0.025855 0.738171 O\n0.309774 0.540340 0.447849 O\n0.024709 0.612549 0.113293 O\n0.279719 0.569254 0.672019 O\n0.810969 0.130909 0.370289 O\n0.881043 0.118957 0.500000 O\n0.025391 0.736172 0.238522 O\n0.548220 0.306365 0.947569 O\n0.569881 0.277362 0.171495 O\n0.133760 0.805388 0.869866 O\n0.126321 0.873679 0.000000 O\n",
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{
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"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n6.595353 0.000000 0.000000\n0.000000 5.259011 0.000000\n0.000000 0.160540 18.025191\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.516987 0.768083 0.043667 Na\n0.267922 0.245292 0.133265 Na\n0.744079 0.748580 0.370398 Na\n0.251843 0.747604 0.369353 Na\n0.012290 0.242593 0.462724 Na\n0.483013 0.768083 0.543667 Na\n0.732078 0.245292 0.633265 Na\n0.748157 0.747604 0.869353 Na\n0.255921 0.748580 0.870398 Na\n0.987710 0.242593 0.962724 Na\n0.986726 0.785512 0.172696 Fe\n0.497638 0.222269 0.323363 Fe\n0.013274 0.785512 0.672696 Fe\n0.502362 0.222269 0.823363 Fe\n0.495721 0.700442 0.208523 P\n0.998388 0.287177 0.289043 P\n0.504279 0.700442 0.708523 P\n0.001612 0.287177 0.789043 P\n0.007161 0.732240 0.032270 C\n0.504075 0.273936 0.469243 C\n0.992839 0.732240 0.532270 C\n0.495925 0.273936 0.969243 C\n0.484143 0.294531 0.039469 O\n0.005187 0.955121 0.063680 O\n0.008393 0.536464 0.076702 O\n0.308892 0.784381 0.159775 O\n0.688345 0.769390 0.161330 O\n0.006362 0.127879 0.217395 O\n0.483932 0.412035 0.222185 O\n0.998907 0.578074 0.267276 O\n0.499121 0.842508 0.283090 O\n0.811052 0.227916 0.337846 O\n0.182630 0.232410 0.340314 O\n0.496700 0.476433 0.426081 O\n0.497422 0.049678 0.437535 O\n0.996616 0.709868 0.461034 O\n0.515857 0.294531 0.539469 O\n0.994813 0.955121 0.563680 O\n0.991607 0.536464 0.576702 O\n0.311655 0.769390 0.661330 O\n0.691108 0.784381 0.659775 O\n0.993638 0.127879 0.717395 O\n0.516068 0.412035 0.722185 O\n0.001093 0.578074 0.767276 O\n0.500879 0.842508 0.783090 O\n0.817370 0.232410 0.840314 O\n0.188948 0.227916 0.837846 O\n0.503300 0.476433 0.926081 O\n0.502578 0.049678 0.937535 O\n0.003384 0.709868 0.961034 O\n",
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"formula_full": "Na10 Fe4 P4 C4 O28",
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{
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"structure_string": "H4 Os6 C20 O20\n1.0\n8.679965 0.000000 0.000000\n-4.226036 8.178762 0.000000\n-1.843887 -1.313458 11.751253\nH Os C O\n4 6 20 20\ndirect\n0.975762 0.440070 0.880330 H\n0.994281 0.369775 0.691052 H\n0.005719 0.630225 0.308948 H\n0.024238 0.559930 0.119670 H\n0.976474 0.548949 0.751289 Os\n0.885540 0.234783 0.797444 Os\n0.608126 0.313756 0.711315 Os\n0.391874 0.686244 0.288685 Os\n0.114460 0.765217 0.202556 Os\n0.023526 0.451051 0.248711 Os\n0.353854 0.748626 0.435260 C\n0.390095 0.115935 0.703818 C\n0.769279 0.332440 0.215566 C\n0.936851 0.713384 0.820805 C\n0.208359 0.960970 0.303944 C\n0.370892 0.619761 0.128408 C\n0.646146 0.251374 0.564740 C\n0.629108 0.380239 0.871592 C\n0.791641 0.039030 0.696056 C\n0.947420 0.631745 0.610041 C\n0.898070 0.768359 0.142576 C\n0.101930 0.231641 0.857424 C\n0.241719 0.888131 0.091990 C\n0.052580 0.368255 0.389959 C\n0.514708 0.455775 0.655238 C\n0.485292 0.544225 0.344762 C\n0.758281 0.111869 0.908010 C\n0.609905 0.884065 0.296182 C\n0.063149 0.286616 0.179195 C\n0.230721 0.667560 0.784434 C\n0.910647 0.811778 0.865010 O\n0.616609 0.256601 0.198314 O\n0.684459 0.042396 0.978359 O\n0.642966 0.420829 0.966874 O\n0.252877 0.001102 0.698165 O\n0.315541 0.957604 0.021641 O\n0.456313 0.540868 0.621497 O\n0.089353 0.188222 0.134990 O\n0.259875 0.076771 0.368772 O\n0.332314 0.788191 0.522024 O\n0.228873 0.223733 0.895412 O\n0.383391 0.743399 0.801686 O\n0.072637 0.320192 0.476905 O\n0.357034 0.579171 0.033126 O\n0.747123 0.998898 0.301835 O\n0.740125 0.923229 0.631228 O\n0.543687 0.459132 0.378503 O\n0.771127 0.776267 0.104588 O\n0.927363 0.679808 0.523095 O\n0.667686 0.211809 0.477976 O\n",
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{
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