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{
"id": "mp-1221731",
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{
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{
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{
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"structure_string": "Ho6 Sc6 Si6\n1.0\n0.001042 0.000798 -6.116434\n-8.575227 0.289483 0.001438\n-4.538348 7.860445 -0.000264\nHo Sc Si\n6 6 6\ndirect\n0.750209 0.270811 0.704680 Ho\n0.749791 0.729169 0.975443 Ho\n0.749997 0.000223 0.307221 Ho\n0.249815 0.746175 0.252165 Ho\n0.250176 0.253874 0.998290 Ho\n0.250002 0.999887 0.752229 Ho\n0.498736 0.309071 0.348757 Sc\n0.498673 0.690857 0.657970 Sc\n0.001197 0.690899 0.657864 Sc\n0.001385 0.309164 0.348750 Sc\n0.749714 0.637756 0.357827 Sc\n0.750296 0.362491 0.995400 Sc\n0.556115 0.999865 0.022809 Si\n0.943908 0.999873 0.022809 Si\n0.749978 0.000080 0.618083 Si\n0.250287 0.405471 0.582722 Si\n0.249738 0.594357 0.988232 Si\n0.249984 0.999978 0.408749 Si\n",
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{
"id": "mp-1638858",
"created_at": "2022-09-04T14:41:20.304441Z",
"structure_string": "Li16 Fe10 O20\n1.0\n2.620044 5.798030 -2.261398\n1.758830 -3.554462 -6.977608\n-8.276178 5.618243 -2.209423\nLi Fe O\n16 10 20\ndirect\n0.894286 0.064433 0.448458 Li\n0.393418 0.064676 0.948373 Li\n0.806398 0.130536 0.249171 Li\n0.306109 0.130869 0.749077 Li\n0.803911 0.442683 0.353047 Li\n0.302394 0.442827 0.853515 Li\n0.895318 0.757898 0.346577 Li\n0.395675 0.758167 0.846364 Li\n0.577233 0.268057 0.138348 Li\n0.077532 0.268763 0.637028 Li\n0.623568 0.933074 0.067641 Li\n0.124185 0.932982 0.566735 Li\n0.717466 0.553033 0.157562 Li\n0.216733 0.554167 0.658198 Li\n0.482778 0.649300 0.039882 Li\n0.982569 0.649162 0.539953 Li\n0.849745 0.599008 0.849584 Fe\n0.945576 0.197661 0.950186 Fe\n0.749753 0.001641 0.748770 Fe\n0.654376 0.404451 0.644305 Fe\n0.049020 0.797432 0.056470 Fe\n0.350231 0.598734 0.349538 Fe\n0.447486 0.198617 0.451334 Fe\n0.249544 0.000558 0.248000 Fe\n0.155523 0.404488 0.144533 Fe\n0.549641 0.797056 0.556406 Fe\n0.719251 0.261711 0.448599 O\n0.216770 0.261431 0.948840 O\n0.966018 0.936756 0.250241 O\n0.465963 0.936948 0.749671 O\n0.189709 0.107613 0.458680 O\n0.687442 0.107425 0.959357 O\n0.517386 0.106957 0.258669 O\n0.017784 0.108117 0.757096 O\n0.074698 0.555113 0.338444 O\n0.574326 0.555196 0.838630 O\n0.624306 0.638280 0.360269 O\n0.123892 0.638834 0.860341 O\n0.868039 0.321565 0.141529 O\n0.367331 0.322307 0.642324 O\n0.341330 0.872167 0.046712 O\n0.841343 0.871797 0.546668 O\n0.433441 0.486840 0.160385 O\n0.932790 0.487323 0.660577 O\n0.768694 0.711768 0.037085 O\n0.269020 0.711580 0.536827 O\n",
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"formula_full": "Li16 Fe10 O20",
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{
"id": "mp-569526",
"created_at": "2022-09-04T14:41:20.322001Z",
"structure_string": "Rb2 Cu2 Cl6\n1.0\n3.530306 -6.114670 0.000000\n3.530306 6.114670 0.000000\n0.000000 0.000000 5.974634\nRb Cu Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.317759 0.158879 0.750000 Cl\n0.682241 0.841121 0.250000 Cl\n0.158879 0.317759 0.250000 Cl\n0.841121 0.158879 0.750000 Cl\n0.158879 0.841121 0.250000 Cl\n0.841121 0.682241 0.750000 Cl\n",
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"elements": [
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"density_atomic": 0.038767993481759896,
"volume": 257.94474002645865,
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"formula_full": "Rb2 Cu2 Cl6",
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"formula_anonymous": "ABC3",
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{
"id": "mp-1113305",
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"structure_string": "Cs2 Hg1 Au1 Br6\n1.0\n0.000000 5.584006 5.584006\n5.584006 0.000000 5.584006\n5.584006 5.584006 0.000000\nCs Hg Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.756261 0.243739 0.243739 Br\n0.243739 0.243739 0.756261 Br\n0.243739 0.756261 0.756261 Br\n0.243739 0.756261 0.243739 Br\n0.756261 0.243739 0.756261 Br\n0.756261 0.756261 0.243739 Br\n",
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{
"id": "mp-1147655",
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"structure_string": "Ba8 Cu6 Sn2 O18\n1.0\n8.085319 0.000000 0.000000\n0.000000 8.085319 0.000000\n0.000000 0.000000 8.085319\nBa Cu Sn O\n8 6 2 18\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.250000 Ba\n0.750000 0.250000 0.750000 Ba\n0.250000 0.750000 0.750000 Ba\n0.250000 0.750000 0.250000 Ba\n0.750000 0.250000 0.250000 Ba\n0.250000 0.250000 0.750000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.250000 O\n0.500000 0.500000 0.239360 O\n0.239360 0.500000 0.500000 O\n0.500000 0.750000 0.000000 O\n0.250000 0.000000 0.500000 O\n0.750000 0.000000 0.500000 O\n0.500000 0.250000 0.000000 O\n0.000000 0.000000 0.260640 O\n0.000000 0.000000 0.739360 O\n0.000000 0.260640 0.000000 O\n0.500000 0.760640 0.500000 O\n0.260640 0.000000 0.000000 O\n0.739360 0.000000 0.000000 O\n0.500000 0.239360 0.500000 O\n0.000000 0.500000 0.750000 O\n0.500000 0.500000 0.760640 O\n0.760640 0.500000 0.500000 O\n0.000000 0.739360 0.000000 O\n",
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{
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"structure_string": "Li8 Mn4 C4 O20\n1.0\n2.909030 0.000000 0.000000\n0.000000 9.438200 0.000000\n0.000000 0.000000 11.829750\nLi Mn C O\n8 4 4 20\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.005902 0.283771 Li\n0.500000 0.494098 0.783771 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.505902 0.216229 Li\n0.500000 0.994098 0.716229 Li\n0.000000 0.243175 0.113359 Mn\n0.000000 0.256825 0.613359 Mn\n0.000000 0.743175 0.386641 Mn\n0.000000 0.756825 0.886641 Mn\n0.000000 0.238729 0.862075 C\n0.000000 0.261271 0.362075 C\n0.000000 0.738729 0.637925 C\n0.000000 0.761271 0.137925 C\n0.500000 0.117180 0.143609 O\n0.000000 0.128011 0.363393 O\n0.500000 0.129596 0.580224 O\n0.000000 0.160796 0.954623 O\n0.000000 0.165488 0.767700 O\n0.000000 0.334512 0.267700 O\n0.000000 0.339204 0.454623 O\n0.500000 0.370404 0.080224 O\n0.000000 0.371989 0.863393 O\n0.500000 0.382820 0.643609 O\n0.500000 0.617180 0.356391 O\n0.000000 0.628011 0.136607 O\n0.500000 0.629596 0.919776 O\n0.000000 0.660796 0.545377 O\n0.000000 0.665488 0.732300 O\n0.000000 0.834512 0.232300 O\n0.000000 0.839204 0.045377 O\n0.500000 0.870404 0.419776 O\n0.000000 0.871989 0.636607 O\n0.500000 0.882820 0.856391 O\n",
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"volume": 324.7976981694435,
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{
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"structure_string": "Li8 Mn2 V2 P6 O24\n1.0\n8.415449 0.000000 0.000000\n-4.141997 7.350062 0.000000\n-0.060616 -4.835775 7.944744\nLi Mn V P O\n8 2 2 6 24\ndirect\n0.735506 0.668144 0.135388 Li\n0.056517 0.266771 0.097379 Li\n0.341444 0.927931 0.147061 Li\n0.201667 0.259349 0.409372 Li\n0.798333 0.740651 0.590628 Li\n0.658556 0.072069 0.852939 Li\n0.943483 0.733229 0.902621 Li\n0.264494 0.331856 0.864612 Li\n0.849941 0.150984 0.561778 Mn\n0.150059 0.849016 0.438222 Mn\n0.351657 0.656392 0.034900 V\n0.648343 0.343608 0.965100 V\n0.050626 0.539082 0.245910 P\n0.453024 0.260242 0.246365 P\n0.745421 0.953296 0.238069 P\n0.254579 0.046704 0.761931 P\n0.546976 0.739758 0.753635 P\n0.949374 0.460918 0.754090 P\n0.849507 0.530918 0.106909 O\n0.496764 0.480792 0.178847 O\n0.167777 0.497270 0.182972 O\n0.445738 0.205458 0.100751 O\n0.790263 0.156925 0.100771 O\n0.248950 0.158141 0.267720 O\n0.032706 0.383732 0.412071 O\n0.602222 0.209873 0.407120 O\n0.527656 0.836432 0.176870 O\n0.866262 0.859169 0.244692 O\n0.791844 0.972381 0.408636 O\n0.147850 0.744979 0.254194 O\n0.852150 0.255021 0.745806 O\n0.208156 0.027619 0.591364 O\n0.133738 0.140831 0.755308 O\n0.472344 0.163568 0.823130 O\n0.397778 0.790127 0.592880 O\n0.967294 0.616268 0.587929 O\n0.751050 0.841859 0.732280 O\n0.209737 0.843075 0.899229 O\n0.554262 0.794542 0.899249 O\n0.832223 0.502730 0.817028 O\n0.503236 0.519208 0.821153 O\n0.150493 0.469082 0.893091 O\n",
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"formula_full": "Li8 Mn2 V2 P6 O24",
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},
{
"id": "mp-557058",
"created_at": "2022-09-04T14:41:20.335020Z",
"structure_string": "Zn12 S12\n1.0\n1.915997 -3.318604 0.000000\n1.915997 3.318604 0.000000\n0.000000 0.000000 38.848173\nZn S\n12 12\ndirect\n0.333333 0.666667 0.821568 Zn\n0.333333 0.666667 0.332902 Zn\n0.000000 0.000000 0.250434 Zn\n0.666667 0.333333 0.868251 Zn\n0.000000 0.000000 0.737150 Zn\n0.666667 0.333333 0.167861 Zn\n0.666667 0.333333 0.656872 Zn\n0.333333 0.666667 0.576519 Zn\n0.666667 0.333333 0.414786 Zn\n0.000000 0.000000 0.495941 Zn\n0.333333 0.666667 0.085410 Zn\n0.000000 0.000000 0.003059 Zn\n0.666667 0.333333 0.475711 S\n0.666667 0.333333 0.229373 S\n0.333333 0.666667 0.637044 S\n0.333333 0.666667 0.982983 S\n0.666667 0.333333 0.717357 S\n0.666667 0.333333 0.924744 S\n0.333333 0.666667 0.146903 S\n0.000000 0.000000 0.556603 S\n0.333333 0.666667 0.394153 S\n0.000000 0.000000 0.797595 S\n0.000000 0.000000 0.311928 S\n0.000000 0.000000 0.064856 S\n",
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"elements": [
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},
{
"id": "mp-773180",
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"structure_string": "Li8 Mn6 Sn10 O32\n1.0\n6.261273 0.087661 -0.092961\n0.151842 10.670322 -0.092826\n-0.150571 -0.086794 9.961502\nLi Mn Sn O\n8 6 10 32\ndirect\n0.994973 0.331661 0.896334 Li\n0.494948 0.831675 0.896297 Li\n0.481894 0.494046 0.986653 Li\n0.981926 0.994003 0.986642 Li\n0.498559 0.499524 0.494485 Li\n0.998576 0.999496 0.494505 Li\n0.497111 0.165708 0.401877 Li\n0.997113 0.665727 0.401846 Li\n0.746488 0.915724 0.214116 Mn\n0.500181 0.330534 0.712374 Mn\n0.000066 0.830544 0.712439 Mn\n0.246789 0.415473 0.214056 Mn\n0.745858 0.084884 0.712298 Mn\n0.245890 0.584878 0.712382 Mn\n0.009663 0.336531 0.492663 Sn\n0.509615 0.836525 0.492650 Sn\n0.255235 0.085027 0.716240 Sn\n0.755225 0.585055 0.716269 Sn\n0.503635 0.167902 0.986870 Sn\n0.003749 0.667942 0.986916 Sn\n0.756184 0.416088 0.214238 Sn\n0.256068 0.916034 0.214241 Sn\n0.002252 0.169998 0.214259 Sn\n0.502237 0.669978 0.214219 Sn\n0.775003 0.258317 0.343012 O\n0.274986 0.758330 0.343050 O\n0.988557 0.329459 0.099949 O\n0.488568 0.829511 0.099930 O\n0.008764 0.002908 0.311697 O\n0.508814 0.502910 0.311672 O\n0.495185 0.498541 0.802412 O\n0.995229 0.998412 0.802396 O\n0.243314 0.081094 0.096042 O\n0.743322 0.581102 0.096012 O\n0.267048 0.422418 0.600695 O\n0.767092 0.922300 0.600639 O\n0.506191 0.168745 0.611874 O\n0.006282 0.668760 0.612030 O\n0.714508 0.238253 0.831131 O\n0.214708 0.738300 0.830912 O\n0.754764 0.421922 0.595436 O\n0.254765 0.921923 0.595397 O\n0.010194 0.166417 0.595448 O\n0.510227 0.666401 0.595431 O\n0.990825 0.483256 0.349333 O\n0.490757 0.983293 0.349337 O\n0.220330 0.253730 0.349351 O\n0.720238 0.753742 0.349297 O\n0.268675 0.239542 0.848136 O\n0.768754 0.739590 0.848170 O\n0.493795 0.014565 0.848166 O\n0.993793 0.514604 0.848194 O\n0.509354 0.337550 0.091377 O\n0.009467 0.837524 0.091428 O\n0.760989 0.085911 0.091395 O\n0.260976 0.586012 0.091463 O\n",
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"elements": [
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],
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"formula_full": "Li8 Mn6 Sn10 O32",
"formula_reduced": "Li4Mn3Sn5O16",
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"spacegroup": 8
}
]
}