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{
"id": "mp-1112949",
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{
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"structure_string": "Li8 Mn6 Nb2 O16\n1.0\n3.466667 4.232174 2.629429\n7.058856 -4.376094 -2.671072\n-0.024022 3.214883 -5.305247\nLi Mn Nb O\n8 6 2 16\ndirect\n0.994995 0.494314 0.994001 Li\n0.505467 0.005667 0.505856 Li\n0.750187 0.749985 0.250214 Li\n0.249612 0.250074 0.749926 Li\n0.499944 0.994338 0.997696 Li\n0.999954 0.505818 0.502703 Li\n0.250502 0.249882 0.249856 Li\n0.750489 0.749873 0.749544 Li\n0.501547 0.502700 0.997736 Mn\n0.998905 0.997182 0.502041 Mn\n0.749893 0.250109 0.749819 Mn\n0.750456 0.249950 0.250150 Mn\n0.249755 0.750018 0.749882 Mn\n0.249583 0.750170 0.250490 Mn\n0.504203 0.504914 0.500568 Nb\n0.995605 0.995143 0.999079 Nb\n0.010923 0.766878 0.496163 O\n0.524583 0.270213 0.976292 O\n0.488883 0.730945 0.004281 O\n0.974873 0.231617 0.524097 O\n0.266887 0.486239 0.268644 O\n0.755503 0.995275 0.767651 O\n0.233427 0.013661 0.231048 O\n0.743965 0.504905 0.732573 O\n0.993065 0.767755 0.000287 O\n0.513436 0.260839 0.517293 O\n0.762198 0.999044 0.232891 O\n0.267773 0.496566 0.730814 O\n0.506852 0.732244 0.499717 O\n0.986312 0.239295 0.982279 O\n0.736937 0.501053 0.265980 O\n0.233284 0.003337 0.770430 O\n",
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"formula_full": "Li8 Mn6 Nb2 O16",
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{
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"created_at": "2022-09-04T14:45:10.193955Z",
"structure_string": "Ta4 V8 Si10\n1.0\n-2.576253 3.770922 8.177647\n2.576253 -3.770922 8.177647\n2.576253 3.770922 -8.177647\nTa V Si\n4 8 10\ndirect\n0.688610 0.938610 0.250000 Ta\n0.688610 0.438610 0.750000 Ta\n0.311390 0.061390 0.750000 Ta\n0.311390 0.561390 0.250000 Ta\n0.026280 0.644177 0.382103 V\n0.683727 0.435321 0.248406 V\n0.737926 0.855823 0.882103 V\n0.262074 0.144177 0.117897 V\n0.186915 0.935321 0.251594 V\n0.813085 0.064679 0.748406 V\n0.316273 0.564679 0.751594 V\n0.973720 0.355823 0.617897 V\n0.653810 0.559909 0.093901 Si\n0.013221 0.208914 0.804308 Si\n0.404606 0.708914 0.695692 Si\n0.595394 0.291086 0.304308 Si\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.986779 0.791086 0.195692 Si\n0.466008 0.059909 0.406099 Si\n0.346190 0.440091 0.906099 Si\n0.533992 0.940091 0.593901 Si\n",
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},
{
"id": "mp-1105578",
"created_at": "2022-09-04T14:45:10.201653Z",
"structure_string": "Cu4 N4 Cl12\n1.0\n14.021445 0.000000 0.000000\n0.000000 4.253974 0.000000\n0.000000 2.455257 9.245210\nCu N Cl\n4 4 12\ndirect\n0.546987 0.770138 0.651012 Cu\n0.046987 0.229862 0.848988 Cu\n0.453013 0.229862 0.348988 Cu\n0.953013 0.770138 0.151012 Cu\n0.675209 0.211043 0.062273 N\n0.175209 0.788957 0.437727 N\n0.324791 0.788957 0.937727 N\n0.824791 0.211043 0.562273 N\n0.686232 0.732995 0.744362 Cl\n0.186232 0.267005 0.755638 Cl\n0.313768 0.267005 0.255638 Cl\n0.813768 0.732995 0.244362 Cl\n0.495461 0.356664 0.811757 Cl\n0.995461 0.643336 0.688243 Cl\n0.504539 0.643336 0.188243 Cl\n0.004539 0.356664 0.311757 Cl\n0.593905 0.170325 0.461864 Cl\n0.093905 0.829675 0.038136 Cl\n0.406095 0.829675 0.538136 Cl\n0.906095 0.170325 0.961864 Cl\n",
"nsites": 20,
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"elements": [
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"density": 2.215205715586089,
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"volume": 551.4477693987346,
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"formula_full": "Cu4 N4 Cl12",
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},
{
"id": "mp-850407",
"created_at": "2022-09-04T14:45:10.208828Z",
"structure_string": "Li2 Mn2 P2 H24 O20\n1.0\n6.175722 0.000000 0.000000\n0.000000 6.875089 0.000000\n0.000000 0.000000 11.010496\nLi Mn P H O\n2 2 2 24 20\ndirect\n0.499330 0.000000 0.935662 Li\n0.500670 0.500000 0.435662 Li\n0.384187 0.000000 0.643534 Mn\n0.615813 0.500000 0.143534 Mn\n0.006561 0.000000 0.267390 P\n0.993439 0.500000 0.767390 P\n0.740967 0.000000 0.471900 H\n0.838290 0.000000 0.608938 H\n0.987716 0.119488 0.764472 H\n0.216461 0.220235 0.452466 H\n0.828661 0.154036 0.071993 H\n0.627008 0.183940 0.306030 H\n0.375423 0.244927 0.292223 H\n0.624577 0.255073 0.792223 H\n0.372992 0.316060 0.806030 H\n0.171339 0.345964 0.571993 H\n0.783539 0.279765 0.952466 H\n0.012284 0.380512 0.264472 H\n0.161710 0.500000 0.108938 H\n0.259033 0.500000 0.971900 H\n0.012284 0.619488 0.264472 H\n0.783539 0.720235 0.952466 H\n0.171339 0.654036 0.571993 H\n0.372992 0.683940 0.806030 H\n0.624577 0.744927 0.792223 H\n0.375423 0.755073 0.292223 H\n0.627008 0.816060 0.306030 H\n0.828661 0.845964 0.071993 H\n0.216461 0.779765 0.452466 H\n0.987716 0.880512 0.764472 H\n0.992700 0.000000 0.127664 O\n0.772061 0.000000 0.323189 O\n0.045922 0.000000 0.721153 O\n0.702045 0.000000 0.560437 O\n0.125307 0.185215 0.314266 O\n0.473195 0.198902 0.797335 O\n0.287310 0.262430 0.530752 O\n0.712690 0.237570 0.030752 O\n0.526805 0.301098 0.297335 O\n0.874693 0.314785 0.814266 O\n0.007300 0.500000 0.627664 O\n0.227939 0.500000 0.823189 O\n0.297955 0.500000 0.060437 O\n0.954078 0.500000 0.221153 O\n0.874693 0.685215 0.814266 O\n0.526805 0.698902 0.297335 O\n0.712690 0.762430 0.030752 O\n0.287310 0.737570 0.530752 O\n0.473195 0.801098 0.797335 O\n0.125307 0.814785 0.314266 O\n",
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"elements": [
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],
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"formula_full": "Li2 Mn2 P2 H24 O20",
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},
{
"id": "mp-1026435",
"created_at": "2022-09-04T14:45:10.211927Z",
"structure_string": "Mg14 Ti1 Mo1\n1.0\n6.294065 0.000000 0.000000\n-3.147033 5.450820 -0.000000\n0.000000 0.000000 9.972250\nMg Ti Mo\n14 1 1\ndirect\n0.170542 0.835270 0.125000 Mg\n0.168338 0.834168 0.625000 Mg\n0.664730 0.329458 0.125000 Mg\n0.665832 0.331662 0.625000 Mg\n0.664730 0.835270 0.125000 Mg\n0.665832 0.834168 0.625000 Mg\n0.326263 0.173737 0.379805 Mg\n0.326263 0.173737 0.870195 Mg\n0.326263 0.652526 0.379805 Mg\n0.326263 0.652526 0.870195 Mg\n0.847474 0.173737 0.379805 Mg\n0.847474 0.173737 0.870195 Mg\n0.833333 0.666667 0.372789 Mg\n0.833333 0.666667 0.877211 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 Mo\n",
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{
"id": "mp-26337",
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"structure_string": "Li6 Cr6 P8 O32\n1.0\n7.957726 0.000000 0.000000\n0.000000 7.570615 0.000000\n0.000000 0.658490 10.103938\nLi Cr P O\n6 6 8 32\ndirect\n0.359932 0.145194 0.923616 Li\n0.632571 0.339580 0.328027 Li\n0.132571 0.660420 0.671973 Li\n0.863697 0.848892 0.575845 Li\n0.859932 0.854806 0.076384 Li\n0.363697 0.151108 0.424155 Li\n0.643136 0.357476 0.820916 Cr\n0.143136 0.642524 0.179084 Cr\n0.510339 0.757069 0.125702 Cr\n0.493644 0.766717 0.623913 Cr\n0.993644 0.233283 0.376087 Cr\n0.010339 0.242931 0.874298 Cr\n0.200084 0.048437 0.143700 P\n0.700084 0.951563 0.856300 P\n0.687940 0.947386 0.357219 P\n0.302517 0.556009 0.890453 P\n0.312406 0.551307 0.399862 P\n0.802517 0.443991 0.109547 P\n0.187940 0.052614 0.642781 P\n0.812406 0.448693 0.600138 P\n0.697743 0.852214 0.223928 O\n0.801183 0.357746 0.970524 O\n0.431071 0.399366 0.407657 O\n0.802134 0.349271 0.473502 O\n0.851285 0.307559 0.721946 O\n0.855330 0.300067 0.214799 O\n0.142984 0.189375 0.034770 O\n0.136652 0.197063 0.532233 O\n0.197743 0.147786 0.776072 O\n0.580574 0.115242 0.855528 O\n0.189166 0.130280 0.278935 O\n0.566869 0.099164 0.344391 O\n0.879057 0.010896 0.895482 O\n0.379057 0.989104 0.104518 O\n0.371046 0.995570 0.604243 O\n0.871046 0.004430 0.395757 O\n0.129757 0.492830 0.346045 O\n0.689166 0.869720 0.721065 O\n0.080574 0.884758 0.144472 O\n0.642984 0.810625 0.965230 O\n0.066869 0.900836 0.655609 O\n0.636652 0.802937 0.467767 O\n0.355330 0.699933 0.785201 O\n0.301183 0.642254 0.029476 O\n0.351285 0.692441 0.278054 O\n0.931845 0.596198 0.096149 O\n0.302134 0.650729 0.526498 O\n0.931071 0.600634 0.592343 O\n0.629757 0.507170 0.653955 O\n0.127038 0.485660 0.856407 O\n0.627038 0.514340 0.143593 O\n0.431845 0.403802 0.903851 O\n",
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{
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}