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{
"id": "mp-1376805",
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{
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"structure_string": "K6 Ti2 Fe2 H8 S8 O38\n1.0\n8.888005 3.947108 0.000000\n-8.888005 3.947108 0.000000\n0.000000 0.840456 12.819706\nK Ti Fe H S O\n6 2 2 8 8 38\ndirect\n0.868836 0.129055 0.751149 K\n0.129055 0.868836 0.251149 K\n0.000639 0.499892 0.000040 K\n0.499892 0.000639 0.500040 K\n0.483039 0.514740 0.751138 K\n0.514740 0.483039 0.251138 K\n0.989192 0.760266 0.642646 Ti\n0.760266 0.989192 0.142646 Ti\n0.249332 0.010943 0.858730 Fe\n0.010943 0.249332 0.358730 Fe\n0.528305 0.144607 0.945577 H\n0.867980 0.474092 0.550236 H\n0.474092 0.867980 0.050236 H\n0.144607 0.528305 0.445577 H\n0.390824 0.159393 0.074156 H\n0.841196 0.611443 0.429014 H\n0.611443 0.841196 0.929014 H\n0.159393 0.390824 0.574156 H\n0.681717 0.320811 0.747858 S\n0.320811 0.681717 0.247858 S\n0.272638 0.726160 0.750499 S\n0.726160 0.272638 0.250499 S\n0.837139 0.703440 0.040123 S\n0.292771 0.157602 0.460449 S\n0.157602 0.292771 0.960449 S\n0.703440 0.837139 0.540123 S\n0.688006 0.536575 0.988170 O\n0.460948 0.302074 0.513463 O\n0.302074 0.460948 0.013463 O\n0.536575 0.688006 0.488170 O\n0.013042 0.841795 0.975114 O\n0.150762 0.980378 0.526428 O\n0.980378 0.150762 0.026428 O\n0.841795 0.013042 0.475114 O\n0.478949 0.223506 0.759573 O\n0.787713 0.528995 0.734572 O\n0.528995 0.787713 0.234572 O\n0.223506 0.478949 0.259573 O\n0.251353 0.800943 0.844751 O\n0.188038 0.745021 0.659049 O\n0.745021 0.188038 0.159049 O\n0.800943 0.251353 0.344751 O\n0.469595 0.834959 0.719589 O\n0.169814 0.528741 0.776195 O\n0.528741 0.169814 0.276195 O\n0.834959 0.469595 0.219589 O\n0.739238 0.287946 0.842789 O\n0.718067 0.263081 0.654172 O\n0.263081 0.718067 0.154172 O\n0.287946 0.739238 0.342789 O\n0.079207 0.910333 0.748347 O\n0.910333 0.079207 0.248347 O\n0.645915 0.807722 0.863916 O\n0.190305 0.353915 0.639358 O\n0.353915 0.190305 0.139358 O\n0.807722 0.645915 0.363916 O\n0.221122 0.211413 0.902938 O\n0.790087 0.777310 0.598467 O\n0.777310 0.790087 0.098467 O\n0.211413 0.221122 0.402938 O\n0.402055 0.084468 0.971688 O\n0.920442 0.600114 0.529808 O\n0.600114 0.920442 0.029808 O\n0.084468 0.402055 0.471688 O\n",
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"formula_full": "K6 Ti2 Fe2 H8 S8 O38",
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{
"id": "mp-766699",
"created_at": "2022-09-04T14:42:56.795561Z",
"structure_string": "Li12 Fe4 P4 C4 O28\n1.0\n6.444854 0.000000 0.000000\n0.000000 8.555559 0.000000\n0.000000 0.845630 9.749260\nLi Fe P C O\n12 4 4 4 28\ndirect\n0.750930 0.898881 0.364877 Li\n0.749070 0.898881 0.864877 Li\n0.513187 0.716687 0.632377 Li\n0.986813 0.716687 0.132376 Li\n0.246387 0.648737 0.359318 Li\n0.253613 0.648737 0.859318 Li\n0.753613 0.351263 0.640682 Li\n0.746387 0.351263 0.140682 Li\n0.486813 0.283313 0.367623 Li\n0.013187 0.283313 0.867623 Li\n0.249070 0.101119 0.635123 Li\n0.250930 0.101119 0.135123 Li\n0.001086 0.731730 0.620965 Fe\n0.498914 0.731730 0.120965 Fe\n0.998914 0.268270 0.379035 Fe\n0.501086 0.268270 0.879035 Fe\n0.751129 0.591558 0.389920 P\n0.748871 0.591558 0.889920 P\n0.248871 0.408442 0.610080 P\n0.251129 0.408442 0.110080 P\n0.243804 0.958983 0.398988 C\n0.256196 0.958983 0.898988 C\n0.756196 0.041017 0.601012 C\n0.743804 0.041017 0.101012 C\n0.257295 0.928705 0.273573 O\n0.756451 0.894189 0.568318 O\n0.242705 0.928705 0.773573 O\n0.235109 0.847590 0.498211 O\n0.743549 0.894189 0.068318 O\n0.264891 0.847590 0.998211 O\n0.941210 0.690931 0.339674 O\n0.559481 0.688339 0.331751 O\n0.940519 0.688339 0.831751 O\n0.558790 0.690931 0.839674 O\n0.252578 0.576073 0.659101 O\n0.748067 0.578463 0.550218 O\n0.247422 0.576073 0.159101 O\n0.751933 0.578463 0.050218 O\n0.251933 0.421537 0.449782 O\n0.747422 0.423927 0.340899 O\n0.248067 0.421537 0.949782 O\n0.752578 0.423927 0.840899 O\n0.058790 0.309069 0.660326 O\n0.440519 0.311661 0.668249 O\n0.441210 0.309069 0.160326 O\n0.059481 0.311661 0.168249 O\n0.764891 0.152410 0.501789 O\n0.243549 0.105811 0.431682 O\n0.735109 0.152410 0.001789 O\n0.742705 0.071295 0.726427 O\n0.256451 0.105811 0.931682 O\n0.757295 0.071295 0.226427 O\n",
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"elements": [
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"formula_full": "Li12 Fe4 P4 C4 O28",
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{
"id": "mp-775865",
"created_at": "2022-09-04T14:42:56.870729Z",
"structure_string": "Li8 Ti12 Mn4 O32\n1.0\n8.526641 0.000000 0.000000\n0.000000 8.526641 0.000000\n0.000000 0.000000 8.526641\nLi Ti Mn O\n8 12 4 32\ndirect\n0.626320 0.373680 0.873680 Li\n0.747263 0.247263 0.252737 Li\n0.752737 0.752737 0.752737 Li\n0.873680 0.626320 0.373680 Li\n0.126320 0.126320 0.126320 Li\n0.247263 0.252737 0.747263 Li\n0.252737 0.747263 0.247263 Li\n0.373680 0.873680 0.626320 Li\n0.617044 0.122166 0.628538 Ti\n0.622166 0.871462 0.382956 Ti\n0.628538 0.617044 0.122166 Ti\n0.871462 0.382956 0.622166 Ti\n0.877834 0.128538 0.882956 Ti\n0.882956 0.877834 0.128538 Ti\n0.117044 0.377834 0.371462 Ti\n0.122166 0.628538 0.617044 Ti\n0.128538 0.882956 0.877834 Ti\n0.371462 0.117044 0.377834 Ti\n0.377834 0.371462 0.117044 Ti\n0.382956 0.622166 0.871462 Ti\n0.501435 0.998565 0.001435 Mn\n0.998565 0.001435 0.501435 Mn\n0.001435 0.501435 0.998565 Mn\n0.498565 0.498565 0.498565 Mn\n0.603427 0.628768 0.892495 O\n0.607505 0.396573 0.128768 O\n0.611346 0.111346 0.388654 O\n0.628768 0.892495 0.603427 O\n0.623655 0.647149 0.357499 O\n0.639429 0.860571 0.139429 O\n0.642501 0.123655 0.852851 O\n0.647149 0.357499 0.623655 O\n0.852851 0.642501 0.123655 O\n0.857499 0.876345 0.352851 O\n0.860571 0.139429 0.639429 O\n0.876345 0.352851 0.857499 O\n0.871232 0.107505 0.103427 O\n0.888654 0.888654 0.888654 O\n0.892495 0.603427 0.628768 O\n0.896573 0.371232 0.392495 O\n0.103427 0.871232 0.107505 O\n0.107505 0.103427 0.871232 O\n0.111346 0.388654 0.611346 O\n0.128768 0.607505 0.396573 O\n0.123655 0.852851 0.642501 O\n0.139429 0.639429 0.860571 O\n0.142501 0.376345 0.147149 O\n0.147149 0.142501 0.376345 O\n0.352851 0.857499 0.876345 O\n0.357499 0.623655 0.647149 O\n0.360571 0.360571 0.360571 O\n0.376345 0.147149 0.142501 O\n0.371232 0.392495 0.896573 O\n0.388654 0.611346 0.111346 O\n0.392495 0.896573 0.371232 O\n0.396573 0.128768 0.607505 O\n",
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{
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"structure_string": "H8 C16 O16\n1.0\n11.470851 0.000000 0.000000\n0.000000 6.091537 0.000000\n0.000000 0.001278 6.091921\nH C O\n8 16 16\ndirect\n0.000000 0.226868 0.737501 H\n0.000000 0.733577 0.259186 H\n0.749996 0.771159 0.266130 H\n0.750015 0.240805 0.769071 H\n0.500000 0.759004 0.230967 H\n0.500000 0.228961 0.734239 H\n0.250004 0.771159 0.266130 H\n0.249985 0.240805 0.769071 H\n0.000000 0.897984 0.691843 C\n0.000000 0.801665 0.910670 C\n0.000000 0.682045 0.593244 C\n0.000000 0.580543 0.812067 C\n0.749965 0.317906 0.413357 C\n0.749868 0.416663 0.191561 C\n0.749996 0.197210 0.096511 C\n0.750086 0.099734 0.311878 C\n0.500000 0.899942 0.688242 C\n0.500000 0.802345 0.903548 C\n0.500000 0.681707 0.586768 C\n0.500000 0.582878 0.808532 C\n0.250132 0.416663 0.191561 C\n0.250035 0.317906 0.413357 C\n0.250004 0.197210 0.096511 C\n0.249914 0.099734 0.311878 C\n0.000000 0.878506 0.102922 O\n0.000000 0.389455 0.888793 O\n0.000000 0.604842 0.397997 O\n0.000000 0.093110 0.612577 O\n0.750040 0.903960 0.390639 O\n0.750015 0.394526 0.604755 O\n0.749885 0.607772 0.114059 O\n0.749999 0.117012 0.901275 O\n0.500000 0.882707 0.098819 O\n0.500000 0.605184 0.395338 O\n0.500000 0.391804 0.885953 O\n0.500000 0.095679 0.609621 O\n0.249960 0.903960 0.390639 O\n0.250115 0.607772 0.114059 O\n0.249985 0.394526 0.604755 O\n0.250001 0.117012 0.901275 O\n",
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{
"id": "mp-1173656",
"created_at": "2022-09-04T14:42:57.147458Z",
"structure_string": "Na2 Pr1 O3\n1.0\n4.777410 0.000000 0.000000\n0.000000 4.777410 0.000000\n0.000000 0.000000 4.805632\nNa Pr O\n2 1 3\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1297722",
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"structure_string": "Li6 Co8 O16\n1.0\n5.741693 0.055342 -0.010702\n-2.863716 1.649211 4.869952\n-0.095859 -10.021789 -0.014147\nLi Co O\n6 8 16\ndirect\n0.250666 0.001967 0.752321 Li\n0.749472 0.999765 0.246262 Li\n0.504085 0.006992 0.011193 Li\n0.995381 0.992001 0.493586 Li\n0.750072 0.003579 0.755982 Li\n0.255845 0.000323 0.240324 Li\n0.747074 0.500153 0.747547 Co\n0.997698 0.499360 0.501134 Co\n0.496215 0.496946 0.500364 Co\n0.752484 0.495830 0.251366 Co\n0.247839 0.504499 0.749262 Co\n0.249264 0.497986 0.248812 Co\n0.502489 0.500120 0.000944 Co\n0.004840 0.503899 0.000530 Co\n0.639292 0.277568 0.865095 O\n0.134203 0.282084 0.391409 O\n0.375213 0.740694 0.124606 O\n0.854518 0.708410 0.617604 O\n0.400689 0.274905 0.131303 O\n0.895123 0.296475 0.633011 O\n0.863195 0.716520 0.126187 O\n0.335740 0.714433 0.625301 O\n0.889103 0.281613 0.136092 O\n0.390922 0.299902 0.635526 O\n0.099144 0.709370 0.858286 O\n0.611284 0.700689 0.369361 O\n0.142206 0.286646 0.874637 O\n0.661107 0.284341 0.376147 O\n0.608577 0.712269 0.857618 O\n0.096257 0.710661 0.378190 O\n",
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{
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