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{
"id": "mp-1025924",
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"structure_string": "Te4 Mo1 W2 S2\n1.0\n1.712726 -2.966529 0.000000\n1.712726 2.966529 0.000000\n0.000000 0.000000 31.759646\nTe Mo W S\n4 1 2 2\ndirect\n0.000000 0.000000 0.405733 Te\n0.333333 0.666667 0.519539 Te\n0.333333 0.666667 0.637403 Te\n0.000000 0.000000 0.287866 Te\n0.000000 0.000000 0.115655 Mo\n0.000000 0.000000 0.578502 W\n0.333333 0.666667 0.346793 W\n0.333333 0.666667 0.068538 S\n0.333333 0.666667 0.162812 S\n",
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{
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"structure_string": "Mn6 O4 F8\n1.0\n5.690179 0.000000 0.000000\n1.737199 5.531053 0.000000\n2.117299 1.547288 6.948742\nMn O F\n6 4 8\ndirect\n0.697985 0.680023 0.836758 Mn\n0.307263 0.367888 0.681304 Mn\n0.692737 0.632112 0.318696 Mn\n0.302015 0.319977 0.163242 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.019662 0.671006 0.662308 O\n0.203564 0.231849 0.970088 O\n0.796436 0.768151 0.029912 O\n0.980338 0.328994 0.337692 O\n0.378541 0.937624 0.342255 F\n0.911728 0.895819 0.293295 F\n0.584138 0.575574 0.635294 F\n0.088272 0.104181 0.706705 F\n0.415862 0.424426 0.364706 F\n0.621459 0.062376 0.657745 F\n0.331192 0.703967 0.989168 F\n0.668808 0.296033 0.010832 F\n",
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{
"id": "mp-758892",
"created_at": "2022-09-04T14:40:36.100649Z",
"structure_string": "Li16 Fe16 Si16 O64\n1.0\n4.967767 9.076758 0.000000\n-4.967767 9.076758 0.000000\n0.000000 6.746587 15.922519\nLi Fe Si O\n16 16 16 64\ndirect\n0.371775 0.424844 0.184709 Li\n0.922843 0.357541 0.687990 Li\n0.186669 0.278809 0.433860 Li\n0.610470 0.775915 0.436885 Li\n0.277750 0.687170 0.934163 Li\n0.776432 0.110543 0.936891 Li\n0.881608 0.497792 0.186752 Li\n0.357541 0.922843 0.187990 Li\n0.999646 0.870249 0.688026 Li\n0.424844 0.371775 0.684709 Li\n0.687170 0.277750 0.434163 Li\n0.110543 0.776432 0.436891 Li\n0.278809 0.186669 0.933860 Li\n0.775915 0.610470 0.936885 Li\n0.870249 0.999646 0.188026 Li\n0.497792 0.881608 0.686752 Li\n0.053261 0.697898 0.121663 Fe\n0.550119 0.125123 0.121303 Fe\n0.198607 0.046569 0.618913 Fe\n0.623794 0.558997 0.625844 Fe\n0.880239 0.441345 0.376969 Fe\n0.311966 0.939532 0.376429 Fe\n0.441254 0.378802 0.875558 Fe\n0.941207 0.811318 0.877879 Fe\n0.046569 0.198607 0.118913 Fe\n0.558997 0.623794 0.125844 Fe\n0.697898 0.053261 0.621663 Fe\n0.125123 0.550119 0.621303 Fe\n0.378802 0.441254 0.375558 Fe\n0.811318 0.941207 0.377879 Fe\n0.441345 0.880239 0.876969 Fe\n0.939532 0.311966 0.876429 Fe\n0.500740 0.126786 0.313055 Si\n0.626557 0.572561 0.811082 Si\n0.129342 0.000206 0.812369 Si\n0.228333 0.392218 0.060384 Si\n0.733274 0.811389 0.063361 Si\n0.889288 0.232534 0.561667 Si\n0.313632 0.729763 0.562426 Si\n0.572561 0.626557 0.311082 Si\n0.000206 0.129342 0.312369 Si\n0.632442 0.072589 0.809822 Si\n0.126786 0.500740 0.813055 Si\n0.232534 0.889288 0.061667 Si\n0.729763 0.313632 0.062426 Si\n0.392218 0.228333 0.560384 Si\n0.811389 0.733274 0.563361 Si\n0.072589 0.632442 0.309822 Si\n0.600858 0.001278 0.387356 O\n0.692586 0.194409 0.040884 O\n0.148121 0.578988 0.217731 O\n0.612407 0.072392 0.223343 O\n0.188134 0.577377 0.036703 O\n0.346993 0.297017 0.127956 O\n0.024862 0.498374 0.377159 O\n0.001794 0.100859 0.886304 O\n0.691465 0.698167 0.540560 O\n0.574907 0.648306 0.718548 O\n0.071245 0.108083 0.722596 O\n0.856010 0.718677 0.129011 O\n0.074020 0.194544 0.537814 O\n0.334275 0.120972 0.343040 O\n0.791263 0.352223 0.629124 O\n0.563858 0.946199 0.105485 O\n0.492196 0.526209 0.878545 O\n0.698868 0.628534 0.348027 O\n0.215690 0.850799 0.628581 O\n0.392883 0.812236 0.475124 O\n0.123894 0.833105 0.843010 O\n0.955212 0.314384 0.298036 O\n0.425250 0.805319 0.297384 O\n0.817991 0.317947 0.475599 O\n0.065547 0.378981 0.102389 O\n0.451094 0.565536 0.606272 O\n0.631334 0.198268 0.849099 O\n0.812506 0.893389 0.975654 O\n0.100859 0.001794 0.386304 O\n0.698167 0.691465 0.040560 O\n0.648306 0.574907 0.218548 O\n0.108083 0.071245 0.222596 O\n0.813768 0.927972 0.795070 O\n0.313336 0.450355 0.798001 O\n0.882005 0.066592 0.602155 O\n0.316241 0.319083 0.974753 O\n0.194544 0.074020 0.037814 O\n0.352223 0.791263 0.129124 O\n0.001278 0.600858 0.887356 O\n0.526209 0.492196 0.378545 O\n0.194409 0.692586 0.540884 O\n0.578988 0.148121 0.717731 O\n0.072392 0.612407 0.723343 O\n0.850799 0.215689 0.128581 O\n0.833105 0.123894 0.343010 O\n0.577377 0.188134 0.536703 O\n0.565536 0.451094 0.106272 O\n0.297017 0.346993 0.627956 O\n0.498374 0.024862 0.877159 O\n0.198268 0.631334 0.349099 O\n0.718677 0.856010 0.629011 O\n0.893389 0.812506 0.475654 O\n0.120972 0.334275 0.843040 O\n0.927972 0.813768 0.295070 O\n0.450355 0.313336 0.298001 O\n0.066592 0.882005 0.102155 O\n0.319083 0.316241 0.474753 O\n0.946199 0.563858 0.605485 O\n0.628534 0.698868 0.848027 O\n0.812236 0.392883 0.975124 O\n0.314384 0.955212 0.798036 O\n0.805320 0.425250 0.797384 O\n0.317947 0.817991 0.975599 O\n0.378981 0.065547 0.602389 O\n",
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"formula_full": "Li16 Fe16 Si16 O64",
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"spacegroup": 9
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{
"id": "mp-1217361",
"created_at": "2022-09-04T14:40:16.862260Z",
"structure_string": "Ti4 Fe2 B4 Ru4 Rh6\n1.0\n3.001726 0.000000 0.000000\n0.000000 9.113777 0.000000\n0.000000 0.000000 9.201650\nTi Fe B Ru Rh\n4 2 4 4 6\ndirect\n0.000000 0.322962 0.820522 Ti\n0.000000 0.677038 0.179478 Ti\n0.000000 0.822962 0.679478 Ti\n0.000000 0.177038 0.320522 Ti\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.876421 0.372378 B\n0.000000 0.123579 0.627622 B\n0.000000 0.376421 0.127622 B\n0.000000 0.623579 0.872378 B\n0.500000 0.426797 0.288008 Ru\n0.500000 0.573203 0.711992 Ru\n0.500000 0.926797 0.211992 Ru\n0.500000 0.073203 0.788008 Ru\n0.500000 0.715685 0.427033 Rh\n0.500000 0.284315 0.572967 Rh\n0.500000 0.784315 0.927033 Rh\n0.500000 0.215685 0.072967 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
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{
"id": "mp-1228930",
"created_at": "2022-09-04T14:40:00.651446Z",
"structure_string": "Ba6 La2 V6 O24\n1.0\n2.883229 11.100549 0.000000\n-2.883229 11.100549 0.000000\n0.000000 0.742108 9.670746\nBa La V O\n6 2 6 24\ndirect\n0.661813 0.661813 0.324889 Ba\n0.003879 0.003879 0.013738 Ba\n0.332542 0.332542 0.659916 Ba\n0.801364 0.801364 0.994171 Ba\n0.137251 0.137251 0.662164 Ba\n0.195686 0.195686 0.010357 Ba\n0.514951 0.514951 0.634300 La\n0.877623 0.877623 0.332168 La\n0.603214 0.603214 0.980822 V\n0.937726 0.937726 0.661636 V\n0.273991 0.273991 0.321469 V\n0.733992 0.733992 0.665050 V\n0.054774 0.054774 0.362262 V\n0.397152 0.397152 0.014818 V\n0.980975 0.497488 0.771157 O\n0.309167 0.825719 0.467264 O\n0.654783 0.144648 0.113859 O\n0.497488 0.980975 0.771157 O\n0.825719 0.309167 0.467264 O\n0.144648 0.654783 0.113859 O\n0.661989 0.661989 0.605884 O\n0.983025 0.983025 0.300469 O\n0.326340 0.326340 0.949621 O\n0.345006 0.845676 0.882465 O\n0.682230 0.183745 0.560293 O\n0.016185 0.509821 0.221536 O\n0.845676 0.345006 0.882465 O\n0.183745 0.682230 0.560293 O\n0.509821 0.016185 0.221536 O\n0.675716 0.675716 0.045604 O\n0.008461 0.008461 0.723973 O\n0.346126 0.346126 0.380135 O\n0.220751 0.220751 0.460369 O\n0.550458 0.550458 0.117063 O\n0.881676 0.881676 0.791022 O\n0.108893 0.108893 0.225310 O\n0.451793 0.451793 0.871916 O\n0.793775 0.793775 0.531761 O\n",
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{
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"structure_string": "Sr28 Si4 N24\n1.0\n11.611591 0.000000 0.000000\n0.000000 6.600505 0.000000\n0.000000 0.000000 13.745470\nSr Si N\n28 4 24\ndirect\n0.038755 0.739487 0.980586 Sr\n0.461245 0.760513 0.480586 Sr\n0.538755 0.760513 0.019414 Sr\n0.961245 0.739487 0.519414 Sr\n0.961245 0.260513 0.019414 Sr\n0.538755 0.239487 0.519414 Sr\n0.461245 0.239487 0.980586 Sr\n0.038755 0.260513 0.480586 Sr\n0.220953 0.857577 0.624666 Sr\n0.279047 0.642423 0.124666 Sr\n0.720953 0.642423 0.375334 Sr\n0.779047 0.857577 0.875334 Sr\n0.779047 0.142423 0.375334 Sr\n0.720953 0.357577 0.875334 Sr\n0.279047 0.357577 0.624666 Sr\n0.220953 0.142423 0.124666 Sr\n0.293328 0.613277 0.872631 Sr\n0.206672 0.886723 0.372631 Sr\n0.793328 0.886723 0.127369 Sr\n0.706672 0.613277 0.627369 Sr\n0.706672 0.386723 0.127369 Sr\n0.793328 0.113277 0.627369 Sr\n0.206672 0.113277 0.872631 Sr\n0.293328 0.386723 0.372631 Sr\n0.000000 0.441689 0.750000 Sr\n0.500000 0.058311 0.250000 Sr\n0.000000 0.558311 0.250000 Sr\n0.500000 0.941689 0.750000 Sr\n0.000000 0.928881 0.750000 Si\n0.500000 0.571119 0.250000 Si\n0.000000 0.071119 0.250000 Si\n0.500000 0.428881 0.750000 Si\n0.119292 0.769014 0.788953 N\n0.380708 0.730986 0.288953 N\n0.619292 0.730986 0.211047 N\n0.880708 0.769014 0.711047 N\n0.880708 0.230986 0.211047 N\n0.619292 0.269014 0.711047 N\n0.380708 0.269014 0.788953 N\n0.119292 0.230986 0.288953 N\n0.166006 0.593566 0.499934 N\n0.333994 0.906434 0.999934 N\n0.666006 0.906434 0.500066 N\n0.833994 0.593566 0.000066 N\n0.833994 0.406434 0.500066 N\n0.666006 0.093566 0.000066 N\n0.333994 0.093566 0.499934 N\n0.166006 0.406434 0.999934 N\n0.458572 0.586555 0.648640 N\n0.041428 0.913445 0.148640 N\n0.958572 0.913445 0.351360 N\n0.541428 0.586555 0.851360 N\n0.541428 0.413445 0.351360 N\n0.958572 0.086555 0.851360 N\n0.041428 0.086555 0.648640 N\n0.458572 0.413445 0.148640 N\n",
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"formula_full": "Sr28 Si4 N24",
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{
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"structure_string": "Na6 Ti2 Cl12\n1.0\n7.122827 0.000000 0.000000\n0.000000 6.761363 0.000000\n0.000000 6.737593 9.925582\nNa Ti Cl\n6 2 12\ndirect\n0.080950 0.280421 0.243858 Na\n0.580950 0.719579 0.256142 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.919050 0.719579 0.756142 Na\n0.419050 0.280421 0.743858 Na\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.450600 0.100588 0.270055 Cl\n0.676720 0.640504 0.563118 Cl\n0.176720 0.359496 0.936882 Cl\n0.323280 0.359496 0.436882 Cl\n0.287913 0.771908 0.069753 Cl\n0.787913 0.228092 0.430247 Cl\n0.712087 0.228092 0.930247 Cl\n0.212087 0.771908 0.569753 Cl\n0.549400 0.899412 0.729945 Cl\n0.049400 0.100588 0.770055 Cl\n0.823280 0.640504 0.063118 Cl\n0.950600 0.899412 0.229945 Cl\n",
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{
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"updated_at": "2021-11-28T01:34:56.441000Z",
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},
{
"id": "mp-1247131",
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"structure_string": "Mg2 Sc1 Mn3 S8\n1.0\n6.381197 -0.003228 3.681432\n2.125565 6.010665 3.678753\n-0.002625 -0.005135 7.367400\nMg Sc Mn S\n2 1 3 8\ndirect\n0.874955 0.874656 0.875043 Mg\n0.125038 0.125335 0.124969 Mg\n0.500016 0.500061 0.499903 Sc\n0.500034 0.499974 0.000003 Mn\n0.999993 0.499989 0.500019 Mn\n0.499995 0.000000 0.500023 Mn\n0.738456 0.738652 0.738736 S\n0.252971 0.253369 0.718727 S\n0.253210 0.718355 0.253161 S\n0.718788 0.253394 0.252905 S\n0.746768 0.281640 0.746834 S\n0.281208 0.746592 0.747112 S\n0.261531 0.261333 0.261289 S\n0.747041 0.746644 0.281277 S\n",
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"formula_full": "Mg2 Sc1 Mn3 S8",
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{
"id": "mp-754918",
"created_at": "2022-09-04T14:39:59.998188Z",
"structure_string": "Ho4 Mn4 O14\n1.0\n0.000000 5.002278 5.002278\n5.002278 0.000000 5.002278\n5.002278 5.002278 0.000000\nHo Mn O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Ho\n0.125000 0.625000 0.625000 Ho\n0.625000 0.125000 0.625000 Ho\n0.625000 0.625000 0.125000 Ho\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.750000 0.750000 0.750000 O\n0.205568 0.794432 0.794432 O\n0.205568 0.794432 0.205568 O\n0.794432 0.794432 0.205568 O\n0.794432 0.205568 0.794432 O\n0.205568 0.205568 0.794432 O\n0.455568 0.044432 0.044432 O\n0.794432 0.205568 0.205568 O\n0.044432 0.455568 0.044432 O\n0.044432 0.044432 0.455568 O\n0.455568 0.455568 0.044432 O\n0.455568 0.044432 0.455568 O\n0.044432 0.455568 0.455568 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-1098186",
"created_at": "2022-09-04T14:40:19.610337Z",
"structure_string": "Mg14 Bi1 C1\n1.0\n3.649507 -5.151820 0.000000\n3.649507 5.151820 0.000000\n0.000000 0.000000 10.059682\nMg Bi C\n14 1 1\ndirect\n0.864085 0.135915 0.000000 Mg\n0.358088 0.641912 0.000000 Mg\n0.338443 0.077665 0.500000 Mg\n0.384628 0.166421 0.000000 Mg\n0.922335 0.661557 0.500000 Mg\n0.833579 0.615372 0.000000 Mg\n0.147301 0.332404 0.249258 Mg\n0.147301 0.332404 0.750742 Mg\n0.667596 0.852699 0.249258 Mg\n0.667596 0.852699 0.750742 Mg\n0.657160 0.342840 0.280010 Mg\n0.657160 0.342840 0.719990 Mg\n0.158443 0.841557 0.232341 Mg\n0.158443 0.841557 0.767659 Mg\n0.397759 0.602241 0.500000 Bi\n0.640081 0.359919 0.500000 C\n",
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{
"id": "mp-625487",
"created_at": "2022-09-04T14:40:17.031347Z",
"structure_string": "Zn1 H2 O2\n1.0\n1.619661 -2.805335 0.000000\n1.619661 2.805335 0.000000\n0.000000 0.000000 4.515999\nZn H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.551675 H\n0.333333 0.666667 0.448325 H\n0.666667 0.333333 0.767806 O\n0.333333 0.666667 0.232194 O\n",
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]
}