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{
"id": "mp-1221850",
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{
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"structure_string": "In6 Bi14 Pb8 S36\n1.0\n4.034889 0.000000 0.000000\n0.000000 19.034148 0.000000\n0.000000 2.465692 21.006530\nIn Bi Pb S\n6 14 8 36\ndirect\n0.250000 0.372821 0.720095 In\n0.250000 0.552081 0.433745 In\n0.750000 0.281752 0.862993 In\n0.750000 0.447919 0.566255 In\n0.750000 0.627179 0.279905 In\n0.250000 0.718248 0.137007 In\n0.750000 0.043138 0.578817 Bi\n0.250000 0.067905 0.236321 Bi\n0.250000 0.043042 0.914080 Bi\n0.250000 0.232582 0.537720 Bi\n0.250000 0.956862 0.421183 Bi\n0.250000 0.401663 0.003532 Bi\n0.750000 0.154333 0.389073 Bi\n0.750000 0.932095 0.763679 Bi\n0.750000 0.265114 0.205425 Bi\n0.250000 0.845667 0.610927 Bi\n0.750000 0.767418 0.462280 Bi\n0.250000 0.734886 0.794575 Bi\n0.750000 0.956958 0.085920 Bi\n0.750000 0.598337 0.996468 Bi\n0.250000 0.374559 0.357917 Pb\n0.750000 0.845252 0.255903 Pb\n0.750000 0.808419 0.962951 Pb\n0.250000 0.484887 0.181152 Pb\n0.750000 0.625441 0.642083 Pb\n0.250000 0.191581 0.037049 Pb\n0.250000 0.154748 0.744097 Pb\n0.750000 0.515113 0.818848 Pb\n0.750000 0.643636 0.406449 S\n0.750000 0.009402 0.333595 S\n0.750000 0.904646 0.517673 S\n0.250000 0.828426 0.380717 S\n0.750000 0.276609 0.741710 S\n0.250000 0.878998 0.845187 S\n0.250000 0.723391 0.258290 S\n0.750000 0.121002 0.154813 S\n0.250000 0.536301 0.306931 S\n0.250000 0.190190 0.874226 S\n0.250000 0.707646 0.016746 S\n0.750000 0.614136 0.157204 S\n0.750000 0.789293 0.696284 S\n0.250000 0.943006 0.190673 S\n0.250000 0.725627 0.555620 S\n0.750000 0.292354 0.983254 S\n0.250000 0.210707 0.303716 S\n0.750000 0.463699 0.693069 S\n0.750000 0.171574 0.619283 S\n0.250000 0.536949 0.932516 S\n0.750000 0.809810 0.125774 S\n0.250000 0.544027 0.557194 S\n0.750000 0.463051 0.067484 S\n0.750000 0.391604 0.254477 S\n0.750000 0.455973 0.442806 S\n0.750000 0.695044 0.877587 S\n0.750000 0.056994 0.809327 S\n0.250000 0.304956 0.122413 S\n0.250000 0.608396 0.745523 S\n0.250000 0.356364 0.593551 S\n0.250000 0.385864 0.842796 S\n0.750000 0.079352 0.992251 S\n0.250000 0.990598 0.666405 S\n0.750000 0.274373 0.444380 S\n0.250000 0.095354 0.482327 S\n0.250000 0.920648 0.007749 S\n",
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"spacegroup": 11
},
{
"id": "mp-1191025",
"created_at": "2022-09-04T14:44:56.511263Z",
"structure_string": "Zr6 Mn4 Ga12\n1.0\n5.403158 0.000000 0.000000\n0.000000 7.718343 0.000000\n0.000000 0.000000 8.754732\nZr Mn Ga\n6 4 12\ndirect\n0.500000 0.152937 0.780694 Zr\n0.500000 0.152937 0.219306 Zr\n0.000000 0.847063 0.719306 Zr\n0.000000 0.847063 0.280694 Zr\n0.500000 0.719900 0.500000 Zr\n0.000000 0.280100 0.000000 Zr\n0.250000 0.500000 0.250000 Mn\n0.250000 0.500000 0.750000 Mn\n0.750000 0.500000 0.250000 Mn\n0.750000 0.500000 0.750000 Mn\n0.500000 0.763928 0.186942 Ga\n0.500000 0.763928 0.813058 Ga\n0.000000 0.236072 0.313058 Ga\n0.000000 0.236072 0.686942 Ga\n0.500000 0.367491 0.500000 Ga\n0.000000 0.632509 0.000000 Ga\n0.000000 0.563910 0.500000 Ga\n0.500000 0.436090 0.000000 Ga\n0.260321 0.043509 0.500000 Ga\n0.739679 0.043509 0.500000 Ga\n0.239679 0.956491 0.000000 Ga\n0.760321 0.956491 0.000000 Ga\n",
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{
"id": "mp-1198023",
"created_at": "2022-09-04T14:44:55.808181Z",
"structure_string": "Mn4 H56 C32 N8 O24\n1.0\n16.402232 0.000000 0.000000\n0.000000 8.033071 0.000000\n0.000000 0.000000 10.257227\nMn H C N O\n4 56 32 8 24\ndirect\n0.500000 0.838105 0.250000 Mn\n0.000000 0.661895 0.750000 Mn\n0.500000 0.161895 0.750000 Mn\n0.000000 0.338105 0.250000 Mn\n0.423125 0.518509 0.379551 H\n0.076875 0.981491 0.879551 H\n0.923125 0.981491 0.620449 H\n0.576875 0.518509 0.120449 H\n0.576875 0.481491 0.620449 H\n0.923125 0.018509 0.120449 H\n0.076875 0.018509 0.379551 H\n0.423125 0.481491 0.879551 H\n0.364013 0.301342 0.448321 H\n0.135987 0.198658 0.948321 H\n0.864013 0.198658 0.551679 H\n0.635987 0.301342 0.051679 H\n0.635987 0.698658 0.551679 H\n0.864013 0.801342 0.051679 H\n0.135987 0.801342 0.448321 H\n0.364013 0.698658 0.948321 H\n0.260262 0.283692 0.396451 H\n0.239738 0.216308 0.896451 H\n0.760262 0.216308 0.603549 H\n0.739738 0.283692 0.103549 H\n0.739738 0.716308 0.603549 H\n0.760262 0.783692 0.103549 H\n0.239738 0.783692 0.396451 H\n0.260262 0.716308 0.896451 H\n0.337160 0.156891 0.321798 H\n0.162840 0.343109 0.821798 H\n0.837160 0.343109 0.678202 H\n0.662840 0.156891 0.178202 H\n0.662840 0.843109 0.678202 H\n0.837160 0.656891 0.178202 H\n0.162840 0.656891 0.321798 H\n0.337160 0.843109 0.821798 H\n0.314971 0.279553 0.090689 H\n0.185029 0.220447 0.590689 H\n0.814971 0.220447 0.909311 H\n0.685029 0.279553 0.409311 H\n0.685029 0.720447 0.909311 H\n0.814971 0.779553 0.409311 H\n0.185029 0.779553 0.090689 H\n0.314971 0.720447 0.590689 H\n0.226897 0.363498 0.170947 H\n0.273103 0.136502 0.670947 H\n0.726897 0.136502 0.829053 H\n0.773103 0.363498 0.329053 H\n0.773103 0.636502 0.829053 H\n0.726897 0.863498 0.329053 H\n0.273103 0.863498 0.170947 H\n0.226897 0.636502 0.670947 H\n0.295457 0.499595 0.086357 H\n0.204543 0.000405 0.586357 H\n0.795457 0.000405 0.913643 H\n0.704543 0.499595 0.413643 H\n0.704543 0.500405 0.913643 H\n0.795457 0.999595 0.413643 H\n0.204543 0.999595 0.086357 H\n0.295457 0.500405 0.586357 H\n0.459997 0.952827 0.518945 C\n0.040003 0.547173 0.018945 C\n0.959997 0.547173 0.481055 C\n0.540003 0.952827 0.981055 C\n0.540003 0.047173 0.481055 C\n0.959997 0.452827 0.981055 C\n0.040003 0.452827 0.518945 C\n0.459997 0.047173 0.018945 C\n0.393206 0.525485 0.283236 C\n0.106794 0.974515 0.783236 C\n0.893206 0.974515 0.716764 C\n0.606794 0.525485 0.216764 C\n0.606794 0.474515 0.716764 C\n0.893206 0.025485 0.216764 C\n0.106794 0.025485 0.283236 C\n0.393206 0.474515 0.783236 C\n0.324138 0.279705 0.364135 C\n0.175862 0.220295 0.864135 C\n0.824138 0.220295 0.635865 C\n0.675862 0.279705 0.135865 C\n0.675862 0.720295 0.635865 C\n0.824138 0.779705 0.135865 C\n0.175862 0.779705 0.364135 C\n0.324138 0.720295 0.864135 C\n0.290958 0.386732 0.145575 C\n0.209042 0.113268 0.645575 C\n0.790958 0.113268 0.854425 C\n0.709042 0.386732 0.354425 C\n0.709042 0.613268 0.854425 C\n0.790958 0.886732 0.354425 C\n0.209042 0.886732 0.145575 C\n0.290958 0.613268 0.645575 C\n0.337543 0.406894 0.265420 N\n0.162457 0.093106 0.765420 N\n0.837543 0.093106 0.734580 N\n0.662457 0.406894 0.234580 N\n0.662457 0.593106 0.734580 N\n0.837543 0.906894 0.234580 N\n0.162457 0.906894 0.265420 N\n0.337543 0.593106 0.765420 N\n0.430784 0.854036 0.434380 O\n0.069216 0.645964 0.934380 O\n0.930784 0.645964 0.565620 O\n0.569216 0.854036 0.065620 O\n0.569216 0.145964 0.565620 O\n0.930784 0.354036 0.065620 O\n0.069216 0.354036 0.434380 O\n0.430784 0.145964 0.934380 O\n0.430318 0.982248 0.630722 O\n0.069682 0.517752 0.130722 O\n0.930318 0.517752 0.369278 O\n0.569682 0.982248 0.869278 O\n0.569682 0.017752 0.369278 O\n0.930318 0.482248 0.869278 O\n0.069682 0.482248 0.630722 O\n0.430318 0.017752 0.130722 O\n0.411197 0.636452 0.201059 O\n0.088803 0.863548 0.701059 O\n0.911197 0.863548 0.798941 O\n0.588803 0.636452 0.298941 O\n0.588803 0.363548 0.798941 O\n0.911197 0.136452 0.298941 O\n0.088803 0.136452 0.201059 O\n0.411197 0.363548 0.701059 O\n",
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"formula_full": "Mn4 H56 C32 N8 O24",
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{
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{
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{
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"structure_string": "Mg4 Te4 N8\n1.0\n6.386627 0.000000 0.000000\n0.000000 7.635761 0.000000\n0.000000 0.000000 5.495999\nMg Te N\n4 4 8\ndirect\n0.538339 0.872879 0.001952 Mg\n0.461661 0.127121 0.501952 Mg\n0.961661 0.372879 0.501952 Mg\n0.038339 0.627121 0.001952 Mg\n0.642789 0.350043 0.027049 Te\n0.357211 0.649957 0.527049 Te\n0.857211 0.850043 0.527049 Te\n0.142789 0.149957 0.027049 Te\n0.696793 0.272437 0.351108 N\n0.303207 0.727563 0.851108 N\n0.803207 0.772437 0.851108 N\n0.196793 0.227563 0.351108 N\n0.540468 0.858286 0.389890 N\n0.459532 0.141714 0.889890 N\n0.959532 0.358286 0.889890 N\n0.040468 0.641714 0.389890 N\n",
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{
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