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{
"id": "mp-1226503",
"created_at": "2022-09-04T14:40:11.783897Z",
"structure_string": "Ce1 Sm1 B12\n1.0\n5.821804 0.000000 0.000000\n0.000000 5.821804 0.000000\n0.000000 0.000000 4.117415\nCe Sm B\n1 1 12\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.199011 B\n0.500000 0.000000 0.199011 B\n0.151037 0.650140 0.500000 B\n0.650140 0.151037 0.500000 B\n0.151037 0.349860 0.500000 B\n0.650140 0.848963 0.500000 B\n0.848963 0.349860 0.500000 B\n0.349860 0.848963 0.500000 B\n0.848963 0.650140 0.500000 B\n0.349860 0.151037 0.500000 B\n0.000000 0.500000 0.800989 B\n0.500000 0.000000 0.800989 B\n",
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{
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"structure_string": "K8 I4 O18\n1.0\n3.146787 -5.450396 0.000000\n3.146787 5.450396 0.000000\n0.000000 0.000000 15.714822\nK I O\n8 4 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333333 0.666667 0.408862 K\n0.666667 0.333333 0.908862 K\n0.666667 0.333333 0.591138 K\n0.333333 0.666667 0.091138 K\n0.333333 0.666667 0.657496 I\n0.666667 0.333333 0.157496 I\n0.666667 0.333333 0.342504 I\n0.333333 0.666667 0.842504 I\n0.186330 0.813670 0.898273 O\n0.186330 0.372660 0.898273 O\n0.627340 0.813670 0.898273 O\n0.372660 0.186330 0.398273 O\n0.813670 0.627340 0.101727 O\n0.813670 0.186330 0.398273 O\n0.813670 0.627340 0.398273 O\n0.186330 0.813670 0.601727 O\n0.627340 0.813670 0.601727 O\n0.372660 0.186330 0.101727 O\n0.813670 0.186330 0.101727 O\n0.186330 0.372660 0.601727 O\n0.533666 0.067331 0.250000 O\n0.466334 0.533666 0.750000 O\n0.067331 0.533666 0.750000 O\n0.932669 0.466334 0.250000 O\n0.533666 0.466334 0.250000 O\n0.466334 0.932669 0.750000 O\n",
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{
"id": "mp-560777",
"created_at": "2022-09-04T14:39:11.694795Z",
"structure_string": "K12 Hg12 S8 Cl20 O24\n1.0\n6.138559 0.000000 0.000000\n0.000000 12.586530 0.000000\n0.000000 0.000000 22.758475\nK Hg S Cl O\n12 12 8 20 24\ndirect\n0.750000 0.134195 0.489672 K\n0.250000 0.126228 0.997981 K\n0.250000 0.368895 0.132935 K\n0.250000 0.634195 0.010328 K\n0.250000 0.865805 0.510328 K\n0.750000 0.626228 0.502019 K\n0.750000 0.631105 0.867065 K\n0.250000 0.373772 0.497981 K\n0.750000 0.873772 0.002019 K\n0.750000 0.365805 0.989672 K\n0.250000 0.131105 0.632935 K\n0.750000 0.868895 0.367065 K\n0.750000 0.125726 0.811784 Hg\n0.250000 0.874274 0.188216 Hg\n0.750000 0.113045 0.191223 Hg\n0.750000 0.386955 0.691223 Hg\n0.250000 0.886955 0.808777 Hg\n0.250000 0.140985 0.314034 Hg\n0.250000 0.625726 0.688216 Hg\n0.250000 0.613045 0.308777 Hg\n0.750000 0.374274 0.311784 Hg\n0.750000 0.859015 0.685966 Hg\n0.750000 0.640985 0.185966 Hg\n0.250000 0.359015 0.814034 Hg\n0.250000 0.839519 0.912879 S\n0.250000 0.421883 0.916239 S\n0.750000 0.160481 0.087121 S\n0.250000 0.660481 0.412879 S\n0.250000 0.078117 0.416239 S\n0.750000 0.339519 0.587121 S\n0.750000 0.921883 0.583761 S\n0.750000 0.578117 0.083761 S\n0.750000 0.372263 0.415606 Cl\n0.250000 0.369982 0.308999 Cl\n0.750000 0.630018 0.691001 Cl\n0.250000 0.366655 0.704494 Cl\n0.250000 0.611112 0.200314 Cl\n0.250000 0.133345 0.204494 Cl\n0.250000 0.873458 0.292491 Cl\n0.250000 0.627737 0.584394 Cl\n0.750000 0.373458 0.207509 Cl\n0.750000 0.111112 0.299686 Cl\n0.250000 0.626542 0.792491 Cl\n0.750000 0.866655 0.795506 Cl\n0.250000 0.888888 0.700314 Cl\n0.750000 0.127737 0.915606 Cl\n0.750000 0.388888 0.799686 Cl\n0.750000 0.869982 0.191001 Cl\n0.750000 0.126542 0.707509 Cl\n0.250000 0.130018 0.808999 Cl\n0.250000 0.872263 0.084394 Cl\n0.750000 0.633345 0.295506 Cl\n0.250000 0.171156 0.456258 O\n0.950144 0.987081 0.575960 O\n0.949867 0.224531 0.076300 O\n0.450144 0.487081 0.924040 O\n0.950144 0.512919 0.075960 O\n0.050133 0.775469 0.923700 O\n0.550133 0.275469 0.576300 O\n0.750000 0.828844 0.543742 O\n0.750000 0.061448 0.052463 O\n0.250000 0.938552 0.947537 O\n0.449867 0.724531 0.423700 O\n0.250000 0.328844 0.956258 O\n0.549856 0.987081 0.575960 O\n0.049856 0.487081 0.924040 O\n0.250000 0.561448 0.447537 O\n0.550133 0.224531 0.076300 O\n0.449867 0.775469 0.923700 O\n0.450144 0.012919 0.424040 O\n0.949867 0.275469 0.576300 O\n0.750000 0.671156 0.043742 O\n0.049856 0.012919 0.424040 O\n0.050133 0.724531 0.423700 O\n0.549856 0.512919 0.075960 O\n0.750000 0.438552 0.552463 O\n",
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"density": 3.9906626740709417,
"density_atomic": 0.04322131590180561,
"volume": 1758.3916272393044,
"volume_molar": 13.933265645316501,
"formula_full": "K12 Hg12 S8 Cl20 O24",
"formula_reduced": "K3Hg3S2Cl5O6",
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{
"id": "mp-773015",
"created_at": "2022-09-04T14:39:11.695515Z",
"structure_string": "K8 Li12 Mn4 O16\n1.0\n8.971812 0.000000 0.000000\n0.000000 5.547914 0.000000\n0.000000 3.418643 10.439584\nK Li Mn O\n8 12 4 16\ndirect\n0.226992 0.714584 0.892227 K\n0.490259 0.708031 0.637845 K\n0.273008 0.714584 0.392227 K\n0.990259 0.291969 0.862155 K\n0.009741 0.708031 0.137845 K\n0.726992 0.285416 0.607773 K\n0.509741 0.291969 0.362155 K\n0.773008 0.285416 0.107773 K\n0.964115 0.905148 0.705438 Li\n0.734886 0.621354 0.800272 Li\n0.535885 0.905148 0.205438 Li\n0.505386 0.379348 0.926791 Li\n0.005386 0.620652 0.573209 Li\n0.234886 0.378646 0.699728 Li\n0.765114 0.621354 0.300272 Li\n0.994614 0.379348 0.426791 Li\n0.494614 0.620652 0.073209 Li\n0.464115 0.094852 0.794562 Li\n0.265114 0.378646 0.199728 Li\n0.035885 0.094852 0.294562 Li\n0.706466 0.910167 0.942267 Mn\n0.793534 0.910167 0.442267 Mn\n0.206466 0.089833 0.557733 Mn\n0.293534 0.089833 0.057733 Mn\n0.891891 0.798098 0.887942 O\n0.537962 0.747421 0.882208 O\n0.807377 0.746653 0.622661 O\n0.171411 0.742659 0.654095 O\n0.608109 0.798098 0.387942 O\n0.962038 0.747421 0.382208 O\n0.671411 0.257341 0.845905 O\n0.307377 0.253347 0.877339 O\n0.692623 0.746653 0.122661 O\n0.328589 0.742659 0.154095 O\n0.037962 0.252579 0.617792 O\n0.391891 0.201902 0.612058 O\n0.828589 0.257341 0.345905 O\n0.192623 0.253347 0.377339 O\n0.462038 0.252579 0.117792 O\n0.108109 0.201902 0.112058 O\n",
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"formula_full": "K8 Li12 Mn4 O16",
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{
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{
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"structure_string": "Na24 Ni4 O16\n1.0\n0.000349 -0.001417 5.462433\n7.484940 7.494054 -0.002844\n-7.493755 7.503590 -0.000756\nNa Ni O\n24 4 16\ndirect\n0.655731 0.248423 0.000055 Na\n0.656571 0.752025 0.500273 Na\n0.844682 0.748131 0.000162 Na\n0.843483 0.251581 0.499415 Na\n0.155757 0.248650 0.001571 Na\n0.156487 0.751811 0.498762 Na\n0.344512 0.748496 0.998619 Na\n0.343607 0.251493 0.501172 Na\n0.750034 0.287011 0.249602 Na\n0.749201 0.787194 0.750538 Na\n0.749391 0.501363 0.462653 Na\n0.750465 0.998668 0.962965 Na\n0.749460 0.498764 0.037313 Na\n0.750486 0.001599 0.537177 Na\n0.751163 0.712852 0.250142 Na\n0.749139 0.212861 0.749778 Na\n0.251074 0.287206 0.751404 Na\n0.249050 0.786921 0.248466 Na\n0.250254 0.498565 0.963216 Na\n0.250165 0.001488 0.462670 Na\n0.249800 0.501339 0.537199 Na\n0.249966 0.998500 0.037320 Na\n0.251226 0.713002 0.748843 Na\n0.248844 0.212534 0.251028 Na\n0.247597 0.000278 0.750119 Ni\n0.251584 0.499709 0.250539 Ni\n0.754073 0.499927 0.749761 Ni\n0.745907 0.999905 0.249687 Ni\n0.926880 0.624549 0.625581 O\n0.928477 0.120245 0.128992 O\n0.926083 0.375218 0.874177 O\n0.929049 0.879620 0.370802 O\n0.570893 0.379594 0.628894 O\n0.573791 0.875182 0.125678 O\n0.571674 0.620419 0.870736 O\n0.573363 0.124495 0.374244 O\n0.425408 0.625245 0.374167 O\n0.429599 0.120300 0.871730 O\n0.425557 0.375239 0.126659 O\n0.430080 0.880015 0.629071 O\n0.070917 0.620145 0.128276 O\n0.075058 0.125290 0.626164 O\n0.068850 0.379190 0.370550 O\n0.074614 0.875311 0.873827 O\n",
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{
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"structure_string": "Na4 Cd4 As4 S12\n1.0\n16.733991 0.000000 0.000000\n0.000000 5.767011 0.000000\n0.000000 5.642970 5.825887\nNa Cd As S\n4 4 4 12\ndirect\n0.925816 0.798938 0.734163 Na\n0.574184 0.798938 0.234163 Na\n0.074184 0.201062 0.265837 Na\n0.425816 0.201062 0.765837 Na\n0.749292 0.244191 0.754478 Cd\n0.750708 0.244191 0.254478 Cd\n0.250708 0.755809 0.245522 Cd\n0.249292 0.755809 0.745522 Cd\n0.600645 0.717972 0.770309 As\n0.899355 0.717972 0.270309 As\n0.399355 0.282028 0.229691 As\n0.100645 0.282028 0.729691 As\n0.899560 0.372444 0.659725 S\n0.600440 0.372444 0.159725 S\n0.100440 0.627556 0.340275 S\n0.399560 0.627556 0.840275 S\n0.597612 0.364194 0.727908 S\n0.902388 0.364194 0.227908 S\n0.402388 0.635806 0.272092 S\n0.097612 0.635806 0.772092 S\n0.763823 0.820858 0.213888 S\n0.736177 0.820858 0.713888 S\n0.236177 0.179142 0.786112 S\n0.263823 0.179142 0.286112 S\n",
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{
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}