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{
"id": "mp-1196026",
"created_at": "2022-09-04T14:48:19.156587Z",
"structure_string": "Cs1 Er10 C4 I18\n1.0\n11.442007 0.000000 0.000000\n-5.705545 9.917744 0.000000\n-3.892627 -2.987831 10.361261\nCs Er C I\n1 10 4 18\ndirect\n0.000000 0.500000 0.500000 Cs\n0.962214 0.926882 0.678286 Er\n0.037786 0.073118 0.321714 Er\n0.385229 0.292977 0.288027 Er\n0.614771 0.707023 0.711973 Er\n0.945312 0.842332 0.000810 Er\n0.054688 0.157668 0.999190 Er\n0.349661 0.074676 0.015113 Er\n0.650339 0.925324 0.984887 Er\n0.272264 0.954850 0.284730 Er\n0.727736 0.045150 0.715270 Er\n0.141374 0.067287 0.195244 C\n0.858626 0.932713 0.804756 C\n0.217828 0.067115 0.118486 C\n0.782172 0.932885 0.881514 C\n0.242820 0.216553 0.831074 I\n0.757180 0.783447 0.168926 I\n0.703142 0.637376 0.502405 I\n0.296858 0.362624 0.497595 I\n0.692372 0.530332 0.847813 I\n0.307628 0.469668 0.152187 I\n0.142642 0.923393 0.496501 I\n0.857358 0.076607 0.503499 I\n0.617279 0.359534 0.181254 I\n0.382721 0.640466 0.818746 I\n0.096592 0.781048 0.830404 I\n0.903408 0.218952 0.169596 I\n0.559143 0.205547 0.494173 I\n0.440857 0.794453 0.505827 I\n0.040840 0.658813 0.157643 I\n0.959160 0.341187 0.842357 I\n0.532183 0.079490 0.833570 I\n0.467817 0.920510 0.166430 I\n",
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},
{
"id": "mp-1097388",
"created_at": "2022-09-04T14:48:19.158602Z",
"structure_string": "Y1 Zn1 Pd2\n1.0\n-4.954267 5.934853 8.380748\n4.954267 -5.934853 8.380748\n4.954267 5.934853 -8.380748\nY Zn Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.256463 0.256463 Pd\n0.000000 0.743537 0.743537 Pd\n",
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"formula_full": "Y1 Zn1 Pd2",
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"spacegroup": 71
},
{
"id": "mp-770668",
"created_at": "2022-09-04T14:48:19.182673Z",
"structure_string": "Li24 Mn11 Cr1 O36\n1.0\n4.323153 7.508699 0.000000\n-4.323153 7.508699 0.000000\n0.000000 3.384480 9.587163\nLi Mn Cr O\n24 11 1 36\ndirect\n0.171275 0.162870 0.250560 Li\n0.333215 0.999708 0.000437 Li\n0.170176 0.161700 0.749636 Li\n0.495940 0.838836 0.749909 Li\n0.500130 0.166643 0.749831 Li\n0.333446 0.999852 0.499963 Li\n0.495238 0.836561 0.248929 Li\n0.499714 0.166425 0.250156 Li\n0.833575 0.500286 0.749844 Li\n0.833357 0.499870 0.250169 Li\n0.838300 0.829824 0.250364 Li\n0.000292 0.666785 0.999563 Li\n0.837130 0.828725 0.749440 Li\n0.163439 0.504762 0.751071 Li\n0.166668 0.833006 0.750096 Li\n0.000148 0.666554 0.500037 Li\n0.161164 0.504060 0.250091 Li\n0.166994 0.833332 0.249904 Li\n0.504642 0.496919 0.251028 Li\n0.667586 0.332414 0.000000 Li\n0.503081 0.495358 0.748972 Li\n0.829801 0.171050 0.750386 Li\n0.666827 0.333173 0.500000 Li\n0.828950 0.170199 0.249614 Li\n0.667036 0.667395 0.001091 Mn\n0.667026 0.999698 0.000088 Mn\n0.666199 0.667103 0.500000 Mn\n0.666939 0.999747 0.499987 Mn\n0.000302 0.332974 0.999912 Mn\n0.999597 0.000403 0.000000 Mn\n0.000253 0.333061 0.500013 Mn\n0.999548 0.000452 0.500000 Mn\n0.332605 0.332964 0.998909 Mn\n0.332897 0.333801 0.500000 Mn\n0.333525 0.666475 0.500000 Mn\n0.337087 0.662913 0.000000 Cr\n0.427192 0.093328 0.114025 O\n0.571496 0.598747 0.887946 O\n0.426901 0.093665 0.614052 O\n0.596379 0.906192 0.887848 O\n0.572937 0.596218 0.388068 O\n0.596316 0.906218 0.387967 O\n0.738020 0.760428 0.112061 O\n0.760110 0.426694 0.114031 O\n0.759839 0.070973 0.112119 O\n0.736928 0.760517 0.612217 O\n0.906672 0.572808 0.885975 O\n0.906086 0.929794 0.887918 O\n0.760215 0.427010 0.614126 O\n0.760329 0.070424 0.612130 O\n0.929027 0.240161 0.887881 O\n0.906335 0.573099 0.385948 O\n0.906082 0.929692 0.387943 O\n0.929576 0.239671 0.387870 O\n0.070206 0.093914 0.112082 O\n0.093808 0.403621 0.112152 O\n0.093592 0.761511 0.114213 O\n0.070308 0.093918 0.612057 O\n0.239572 0.261980 0.887939 O\n0.238489 0.906408 0.885787 O\n0.093782 0.403684 0.612033 O\n0.093526 0.760449 0.613886 O\n0.262685 0.570168 0.886579 O\n0.239483 0.263072 0.387783 O\n0.239551 0.906474 0.386114 O\n0.262967 0.572906 0.387808 O\n0.401253 0.428504 0.112054 O\n0.429832 0.737315 0.113421 O\n0.403782 0.427063 0.611932 O\n0.573306 0.239890 0.885969 O\n0.427094 0.737033 0.612192 O\n0.572990 0.239785 0.385874 O\n",
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"elements": [
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],
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"density": 3.7320135991861063,
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"volume": 622.4226782217779,
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"formula_full": "Li24 Mn11 Cr1 O36",
"formula_reduced": "Li24Mn11CrO36",
"formula_anonymous": "AB11C24D36",
"energy": -492.38429718,
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"spacegroup": 5
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{
"id": "mp-1177063",
"created_at": "2022-09-04T14:48:19.189429Z",
"structure_string": "Li9 Cr12 Ni7 O48\n1.0\n5.070854 0.000000 0.000000\n0.003962 10.246640 0.000000\n0.059695 0.055107 17.347133\nLi Cr Ni O\n9 12 7 48\ndirect\n0.094591 0.249596 0.248580 Li\n0.245457 0.421099 0.972005 Li\n0.249380 0.578786 0.474934 Li\n0.249384 0.921320 0.475214 Li\n0.254560 0.251099 0.802640 Li\n0.748126 0.751017 0.193674 Li\n0.753865 0.921718 0.027962 Li\n0.759788 0.250924 0.698142 Li\n0.905175 0.749857 0.748177 Li\n0.226634 0.749180 0.943730 Cr\n0.226767 0.028962 0.654439 Cr\n0.226454 0.470998 0.654151 Cr\n0.279777 0.527557 0.153834 Cr\n0.276926 0.972293 0.156560 Cr\n0.280626 0.250205 0.444595 Cr\n0.720108 0.750015 0.557275 Cr\n0.723197 0.473281 0.844258 Cr\n0.720169 0.028192 0.846061 Cr\n0.771063 0.530020 0.343347 Cr\n0.771335 0.970710 0.344106 Cr\n0.773561 0.248918 0.056136 Cr\n0.256820 0.756041 0.309300 Ni\n0.245098 0.069447 0.975407 Ni\n0.406681 0.749738 0.750632 Ni\n0.591912 0.250062 0.247671 Ni\n0.754116 0.069766 0.526855 Ni\n0.753529 0.430479 0.526597 Ni\n0.754575 0.569487 0.024745 Ni\n0.049956 0.243149 0.001202 O\n0.049896 0.611443 0.365964 O\n0.050625 0.890427 0.368038 O\n0.102016 0.624188 0.208581 O\n0.096162 0.872668 0.212017 O\n0.096290 0.121116 0.465753 O\n0.095972 0.379040 0.465630 O\n0.095757 0.005111 0.078012 O\n0.091922 0.496883 0.077032 O\n0.167037 0.748458 0.848631 O\n0.167659 0.611509 0.701274 O\n0.167747 0.888071 0.701724 O\n0.345941 0.111363 0.203797 O\n0.346689 0.388548 0.201584 O\n0.353120 0.250340 0.350856 O\n0.412941 0.499626 0.576311 O\n0.413541 0.000873 0.576651 O\n0.397533 0.883046 0.965650 O\n0.417868 0.623435 0.965963 O\n0.396913 0.125789 0.709666 O\n0.398946 0.373613 0.708807 O\n0.442893 0.108374 0.874467 O\n0.452765 0.393203 0.870073 O\n0.456793 0.750135 0.500743 O\n0.558987 0.250079 0.502184 O\n0.557601 0.607264 0.125940 O\n0.548090 0.895034 0.130330 O\n0.574413 0.625691 0.292002 O\n0.574904 0.874676 0.293096 O\n0.582201 0.123422 0.033977 O\n0.602710 0.382725 0.034235 O\n0.604665 0.005267 0.424116 O\n0.604808 0.495397 0.423799 O\n0.643907 0.750294 0.651330 O\n0.652660 0.612055 0.795821 O\n0.652190 0.889606 0.798452 O\n0.831303 0.109344 0.295994 O\n0.831090 0.390960 0.295673 O\n0.834254 0.248186 0.151222 O\n0.904394 0.505928 0.922976 O\n0.908708 0.997137 0.922890 O\n0.903617 0.618522 0.536254 O\n0.903557 0.881585 0.536172 O\n0.893099 0.125393 0.790486 O\n0.906228 0.377142 0.790211 O\n0.944866 0.106243 0.627410 O\n0.944673 0.393515 0.627174 O\n0.950418 0.743359 0.998801 O\n",
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"volume": 901.3434206495764,
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"formula_full": "Li9 Cr12 Ni7 O48",
"formula_reduced": "Li9Cr12Ni7O48",
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{
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{
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{
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{
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