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{
"id": "mp-770693",
"created_at": "2022-09-04T14:48:19.012373Z",
"structure_string": "Li12 Mn4 Al8 O24\n1.0\n10.331383 0.000000 0.000000\n0.000000 5.923414 0.000000\n0.000000 5.876023 7.984749\nLi Mn Al O\n12 4 8 24\ndirect\n0.501646 0.213945 0.134681 Li\n0.848333 0.188584 0.125166 Li\n0.495856 0.738715 0.617511 Li\n0.348333 0.811416 0.374834 Li\n0.995856 0.261285 0.882489 Li\n0.001646 0.786055 0.365319 Li\n0.998354 0.213945 0.634681 Li\n0.004144 0.738715 0.117511 Li\n0.651667 0.188584 0.625166 Li\n0.504144 0.261285 0.382489 Li\n0.151667 0.811416 0.874834 Li\n0.498354 0.786055 0.865319 Li\n0.165618 0.710055 0.626567 Mn\n0.665618 0.289945 0.873433 Mn\n0.334382 0.710055 0.126567 Mn\n0.834382 0.289945 0.373433 Mn\n0.165263 0.216679 0.116248 Al\n0.841891 0.701934 0.625765 Al\n0.665263 0.783321 0.383752 Al\n0.341891 0.298066 0.874235 Al\n0.658109 0.701934 0.125765 Al\n0.334737 0.216679 0.616248 Al\n0.158109 0.298066 0.374235 Al\n0.834737 0.783321 0.883752 Al\n0.170773 0.977746 0.385596 O\n0.828783 0.498810 0.863115 O\n0.520742 0.936356 0.377272 O\n0.495999 0.436053 0.872342 O\n0.190414 0.469966 0.868631 O\n0.819332 0.929464 0.385998 O\n0.319332 0.070536 0.114002 O\n0.690414 0.530034 0.631369 O\n0.995999 0.563947 0.627658 O\n0.020742 0.063644 0.122728 O\n0.670773 0.022254 0.114404 O\n0.328783 0.501190 0.636885 O\n0.671217 0.498810 0.363115 O\n0.329227 0.977746 0.885596 O\n0.979258 0.936356 0.877272 O\n0.004001 0.436053 0.372342 O\n0.309586 0.469966 0.368631 O\n0.680668 0.929464 0.885998 O\n0.180668 0.070536 0.614002 O\n0.809586 0.530034 0.131369 O\n0.504001 0.563947 0.127658 O\n0.479258 0.063644 0.622728 O\n0.171217 0.501190 0.136885 O\n0.829227 0.022254 0.614404 O\n",
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],
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"volume": 488.64315327023854,
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"formula_full": "Li12 Mn4 Al8 O24",
"formula_reduced": "Li3MnAl2O6",
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"spacegroup": 14
},
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
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"elements": [
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"chemical_system": "U",
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"formula_full": "U8",
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"energy": -87.45485768,
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"spacegroup": 65
},
{
"id": "mp-781622",
"created_at": "2022-09-04T14:48:21.068303Z",
"structure_string": "Lu8 H24 O24\n1.0\n6.072582 0.000000 0.000000\n0.000000 10.418732 0.000000\n0.000000 9.853180 10.546309\nLu H O\n8 24 24\ndirect\n0.534093 0.169732 0.997997 Lu\n0.525488 0.663895 0.502165 Lu\n0.025488 0.336105 0.997835 Lu\n0.034093 0.830268 0.502003 Lu\n0.965907 0.169732 0.497997 Lu\n0.974512 0.663895 0.002165 Lu\n0.474512 0.336105 0.497835 Lu\n0.465907 0.830268 0.002003 Lu\n0.370099 0.702013 0.298732 H\n0.207003 0.920968 0.113335 H\n0.148751 0.229942 0.868857 H\n0.927739 0.698814 0.393686 H\n0.224691 0.494997 0.707893 H\n0.846020 0.986867 0.199594 H\n0.724691 0.505003 0.792107 H\n0.346020 0.013133 0.300406 H\n0.648751 0.770058 0.631143 H\n0.427739 0.301186 0.106314 H\n0.129901 0.702013 0.798732 H\n0.707003 0.079032 0.386665 H\n0.292997 0.920968 0.613335 H\n0.870099 0.297987 0.201268 H\n0.572261 0.698814 0.893686 H\n0.351249 0.229942 0.368857 H\n0.653980 0.986867 0.699594 H\n0.275309 0.494997 0.207893 H\n0.153980 0.013133 0.800406 H\n0.775309 0.505003 0.292107 H\n0.072261 0.301186 0.606314 H\n0.851249 0.770058 0.131143 H\n0.792997 0.079032 0.886665 H\n0.629901 0.297987 0.701268 H\n0.614518 0.390549 0.608912 O\n0.363176 0.909567 0.106508 O\n0.221266 0.295004 0.885868 O\n0.848869 0.776825 0.397025 O\n0.230832 0.595401 0.615615 O\n0.844561 0.080926 0.106760 O\n0.730832 0.404599 0.884385 O\n0.721266 0.704996 0.614132 O\n0.344561 0.919074 0.393240 O\n0.348869 0.223175 0.102975 O\n0.114518 0.609451 0.891088 O\n0.863176 0.090433 0.393492 O\n0.136824 0.909567 0.606508 O\n0.885482 0.390549 0.108912 O\n0.651131 0.776825 0.897025 O\n0.655439 0.080926 0.606760 O\n0.278734 0.295004 0.385868 O\n0.269168 0.595401 0.115615 O\n0.155439 0.919074 0.893240 O\n0.769168 0.404599 0.384385 O\n0.151131 0.223175 0.602975 O\n0.778734 0.704996 0.114132 O\n0.636824 0.090433 0.893492 O\n0.385482 0.609451 0.391088 O\n",
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"elements": [
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"H",
"O"
],
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"volume": 667.2502520646906,
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"formula_full": "Lu8 H24 O24",
"formula_reduced": "Lu(HO)3",
"formula_anonymous": "AB3C3",
"energy": -363.30463191,
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"updated_at": "2021-11-28T01:39:32.344000Z",
"spacegroup": 14
},
{
"id": "mp-705001",
"created_at": "2022-09-04T14:48:23.560225Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n8.124155 0.000000 0.000000\n0.000000 5.010992 0.000000\n0.000000 4.039138 13.100257\nLi Cr P O\n4 4 8 28\ndirect\n0.204329 0.453992 0.244219 Li\n0.295671 0.453992 0.744219 Li\n0.704329 0.546008 0.255781 Li\n0.795671 0.546008 0.755781 Li\n0.146317 0.858434 0.870303 Cr\n0.646317 0.141566 0.629697 Cr\n0.853683 0.141566 0.129697 Cr\n0.353683 0.858434 0.370303 Cr\n0.204744 0.224016 0.022055 P\n0.958273 0.960197 0.319296 P\n0.795256 0.775984 0.977945 P\n0.704744 0.775984 0.477945 P\n0.041727 0.039803 0.680704 P\n0.458273 0.039803 0.180704 P\n0.541727 0.960197 0.819296 P\n0.295256 0.224016 0.522055 P\n0.590307 0.725797 0.395858 O\n0.647369 0.220131 0.769030 O\n0.169439 0.946931 0.001387 O\n0.366264 0.046268 0.834995 O\n0.409693 0.274203 0.604142 O\n0.442461 0.219262 0.254952 O\n0.852631 0.220131 0.269030 O\n0.830561 0.053069 0.998613 O\n0.722552 0.532196 0.575083 O\n0.147369 0.779869 0.730970 O\n0.222552 0.467804 0.924917 O\n0.109817 0.203626 0.570433 O\n0.133736 0.046268 0.334995 O\n0.090307 0.274203 0.104142 O\n0.942461 0.780738 0.245048 O\n0.057539 0.219262 0.754952 O\n0.557539 0.780738 0.745048 O\n0.866264 0.953732 0.665005 O\n0.609817 0.796374 0.929567 O\n0.669439 0.053069 0.498613 O\n0.777448 0.532196 0.075083 O\n0.909693 0.725797 0.895858 O\n0.330561 0.946931 0.501387 O\n0.633736 0.953732 0.165005 O\n0.277448 0.467804 0.424917 O\n0.890183 0.796374 0.429567 O\n0.390183 0.203626 0.070433 O\n0.352631 0.779869 0.230970 O\n",
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"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
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"updated_at": "2021-11-28T01:39:32.341000Z",
"spacegroup": 14
},
{
"id": "mp-20819",
"created_at": "2022-09-04T14:48:23.605206Z",
"structure_string": "Er4 Ge4 Pd8\n1.0\n5.604100 0.000000 0.000000\n0.000000 7.153656 0.000000\n0.000000 0.000000 7.328390\nEr Ge Pd\n4 4 8\ndirect\n0.644283 0.250000 0.975139 Er\n0.855717 0.250000 0.475139 Er\n0.355717 0.750000 0.024861 Er\n0.144283 0.750000 0.524861 Er\n0.358874 0.250000 0.621601 Ge\n0.858874 0.750000 0.878399 Ge\n0.641126 0.750000 0.378399 Ge\n0.141126 0.250000 0.121601 Ge\n0.412019 0.051275 0.317176 Pd\n0.087981 0.051275 0.817176 Pd\n0.412019 0.448725 0.317176 Pd\n0.912019 0.551275 0.182824 Pd\n0.587981 0.551275 0.682824 Pd\n0.087981 0.448725 0.817176 Pd\n0.587981 0.948725 0.682824 Pd\n0.912019 0.948725 0.182824 Pd\n",
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],
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"density": 10.235628010089489,
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"volume": 293.7937157279887,
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"formula_full": "Er4 Ge4 Pd8",
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},
{
"id": "mp-1100666",
"created_at": "2022-09-04T14:48:24.778935Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.457426 10.584525 0.000000\n-1.457426 10.584525 0.000000\n0.000000 3.019409 9.397358\nLi Mn Co O\n9 2 5 16\ndirect\n0.438874 0.438874 0.814409 Li\n0.310819 0.310819 0.438738 Li\n0.182728 0.182728 0.054076 Li\n0.807170 0.807170 0.942035 Li\n0.686405 0.686405 0.563512 Li\n0.565033 0.565033 0.178934 Li\n0.070870 0.070870 0.693012 Li\n0.939043 0.939043 0.309613 Li\n0.624776 0.624776 0.880087 Li\n0.004622 0.004622 0.998867 Mn\n0.874469 0.874469 0.628264 Mn\n0.749524 0.749524 0.248087 Co\n0.503120 0.503120 0.501054 Co\n0.374842 0.374842 0.124518 Co\n0.238688 0.238688 0.753444 Co\n0.124298 0.124298 0.372519 Co\n0.527247 0.527247 0.862182 O\n0.404270 0.404270 0.488072 O\n0.282417 0.282417 0.102863 O\n0.909287 0.909287 0.981484 O\n0.787892 0.787892 0.604982 O\n0.656355 0.656355 0.225903 O\n0.162359 0.162359 0.712366 O\n0.028373 0.028373 0.356257 O\n0.347962 0.347962 0.763922 O\n0.219481 0.219481 0.392559 O\n0.085272 0.085272 0.029917 O\n0.722016 0.722016 0.893761 O\n0.590740 0.590740 0.527344 O\n0.470724 0.470724 0.139880 O\n0.964319 0.964319 0.647375 O\n0.846004 0.846004 0.269965 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 8
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{
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"created_at": "2022-09-04T14:48:19.213142Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n4.854654 -8.295318 -0.006062\n4.858085 8.297328 -0.004300\n2.582949 0.001325 6.675850\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.070523 0.431820 0.325041 Li\n0.319271 0.180690 0.674270 Li\n0.567130 0.928440 0.325728 Li\n0.820174 0.680856 0.675924 Li\n0.257717 0.257216 0.269945 Mn\n0.991912 0.490065 0.730712 Mn\n0.757672 0.756958 0.271786 V\n0.493979 0.994247 0.727520 V\n0.350585 0.529665 0.518451 P\n0.850972 0.030179 0.521760 P\n0.666973 0.454929 0.087097 P\n0.172425 0.955431 0.088447 P\n0.294034 0.580251 0.910920 P\n0.795276 0.079504 0.913650 P\n0.219104 0.897682 0.483367 P\n0.721543 0.401500 0.476991 P\n0.191075 0.124673 0.084628 O\n0.017102 0.193609 0.391859 O\n0.201910 0.043321 0.505214 O\n0.278927 0.481569 0.112379 O\n0.482750 0.309914 0.150131 O\n0.336951 0.371103 0.480916 O\n0.205124 0.545616 0.494919 O\n0.700173 0.043218 0.506672 O\n0.557483 0.234732 0.604432 O\n0.055537 0.728629 0.609297 O\n0.627513 0.060274 0.916120 O\n0.125199 0.561709 0.911232 O\n0.344280 0.499232 0.750921 O\n0.750120 0.404740 0.246231 O\n0.250500 0.904390 0.250566 O\n0.686485 0.623570 0.087571 O\n0.519863 0.693723 0.395710 O\n0.708509 0.551314 0.492299 O\n0.878768 0.415836 0.517976 O\n0.378984 0.915476 0.517829 O\n0.938889 0.263253 0.855700 O\n0.437981 0.764612 0.846257 O\n0.276797 0.970700 0.888252 O\n0.766394 0.471165 0.885817 O\n0.778761 0.974583 0.113531 O\n0.989102 0.814583 0.147054 O\n0.833396 0.871464 0.482542 O\n0.846556 0.999141 0.752333 O\n",
"nsites": 44,
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-1223048",
"created_at": "2022-09-04T14:48:20.565364Z",
"structure_string": "La2 Zn1 Sb4\n1.0\n4.416348 0.000000 0.000000\n0.000000 4.416348 0.000000\n0.000000 0.000000 10.446012\nLa Zn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.748299 La\n0.000000 0.500000 0.251701 La\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.152229 Sb\n0.000000 0.500000 0.847771 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"formula_full": "La2 Zn1 Sb4",
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{
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{
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{
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{
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}