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{
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{
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"formula_full": "Zn4 H20 N24 O10",
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"spacegroup": 13
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{
"id": "mp-1214336",
"created_at": "2022-09-04T14:47:08.156080Z",
"structure_string": "Ba2 Sm2 Cu2 B2 O10\n1.0\n5.527259 0.000000 0.000000\n0.000000 5.527259 0.000000\n0.000000 0.000000 7.589667\nBa Sm Cu B O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.007847 Ba\n0.500000 0.500000 0.007847 Ba\n0.000000 0.000000 0.513224 Sm\n0.500000 0.500000 0.513224 Sm\n0.500000 0.000000 0.731940 Cu\n0.000000 0.500000 0.731940 Cu\n0.500000 0.000000 0.253047 B\n0.000000 0.500000 0.253047 B\n0.156263 0.656263 0.340318 O\n0.843737 0.343737 0.340318 O\n0.343737 0.156263 0.340318 O\n0.656263 0.843737 0.340318 O\n0.500000 0.000000 0.068685 O\n0.000000 0.500000 0.068685 O\n0.252495 0.752495 0.713810 O\n0.747505 0.247505 0.713810 O\n0.247505 0.252495 0.713810 O\n0.752495 0.747505 0.713810 O\n",
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{
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{
"id": "mp-567945",
"created_at": "2022-09-04T14:47:08.151366Z",
"structure_string": "Sn8 Te8 Pd8\n1.0\n6.684508 0.000000 0.000000\n0.000000 6.720364 0.000000\n0.000000 0.000000 13.091417\nSn Te Pd\n8 8 8\ndirect\n0.359187 0.182388 0.565262 Sn\n0.640813 0.817612 0.434738 Sn\n0.140813 0.817612 0.065262 Sn\n0.140813 0.682388 0.565262 Sn\n0.359187 0.317612 0.065262 Sn\n0.859187 0.317612 0.434738 Sn\n0.859187 0.182388 0.934738 Sn\n0.640813 0.682388 0.934738 Sn\n0.627983 0.052168 0.178355 Te\n0.127983 0.447832 0.821645 Te\n0.872017 0.552168 0.178355 Te\n0.372017 0.947832 0.821645 Te\n0.127983 0.052168 0.321645 Te\n0.872017 0.947832 0.678355 Te\n0.627983 0.447832 0.678355 Te\n0.372017 0.552168 0.321645 Te\n0.997104 0.677891 0.371703 Pd\n0.497104 0.677891 0.128297 Pd\n0.997104 0.822109 0.871703 Pd\n0.002896 0.322109 0.628297 Pd\n0.502896 0.322109 0.871703 Pd\n0.497104 0.822109 0.628297 Pd\n0.502896 0.177891 0.371703 Pd\n0.002896 0.177891 0.128297 Pd\n",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.026002 0.000000 0.000000\n0.411010 5.992749 0.000000\n0.358871 2.864637 12.043679\nLi Mn Co O\n7 2 3 12\ndirect\n0.002019 0.165647 0.667798 Li\n0.500000 0.000000 0.500000 Li\n0.502788 0.322995 0.838155 Li\n0.000000 0.500000 0.000000 Li\n0.497212 0.677005 0.161845 Li\n0.997981 0.834353 0.332202 Li\n0.000000 0.000000 0.000000 Li\n0.998684 0.667193 0.669371 Mn\n0.001316 0.332807 0.330629 Mn\n0.500000 0.500000 0.500000 Co\n0.492849 0.157818 0.159085 Co\n0.507151 0.842182 0.840915 Co\n0.524969 0.902059 0.680475 O\n0.996454 0.740014 0.506846 O\n0.025818 0.063076 0.834038 O\n0.502811 0.244615 0.015752 O\n0.024031 0.403115 0.170909 O\n0.528229 0.573141 0.340240 O\n0.471771 0.426859 0.659760 O\n0.003546 0.259986 0.493154 O\n0.975969 0.596885 0.829091 O\n0.497189 0.755385 0.984248 O\n0.974182 0.936924 0.165962 O\n0.475031 0.097941 0.319525 O\n",
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{
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{
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},
{
"id": "mp-850921",
"created_at": "2022-09-04T14:47:08.143733Z",
"structure_string": "Li4 Mn8 B8 O24\n1.0\n-5.297279 0.000000 0.000000\n0.063224 5.799911 0.000000\n-0.010549 -2.622561 -16.225070\nLi Mn B O\n4 8 8 24\ndirect\n0.169934 0.052103 0.611351 Li\n0.339488 0.186070 0.131120 Li\n0.663688 0.306337 0.364183 Li\n0.668252 0.803805 0.864734 Li\n0.303917 0.301045 0.958667 Mn\n0.823329 0.023194 0.214275 Mn\n0.694608 0.206811 0.538167 Mn\n0.811869 0.541192 0.708620 Mn\n0.188062 0.462226 0.285214 Mn\n0.310350 0.790184 0.456985 Mn\n0.192948 0.964153 0.787482 Mn\n0.702197 0.698340 0.042448 Mn\n0.672986 0.043306 0.704447 B\n0.173207 0.293023 0.454021 B\n0.322295 0.468220 0.795766 B\n0.825936 0.203411 0.049841 B\n0.178228 0.793290 0.952107 B\n0.676580 0.531893 0.207184 B\n0.822595 0.712255 0.545384 B\n0.327982 0.961801 0.293015 B\n0.414723 0.032517 0.695783 O\n0.816934 0.169802 0.653591 O\n0.303835 0.172620 0.506532 O\n0.679319 0.355186 0.012139 O\n0.196141 0.107590 0.246024 O\n0.191608 0.297030 0.831773 O\n0.682174 0.043165 0.089833 O\n0.914450 0.278346 0.446073 O\n0.574184 0.497018 0.803230 O\n0.079247 0.212064 0.054225 O\n0.312374 0.421018 0.402745 O\n0.807066 0.412246 0.260629 O\n0.172334 0.619596 0.758560 O\n0.695970 0.539952 0.582214 O\n0.917714 0.778223 0.949441 O\n0.419965 0.498451 0.195805 O\n0.074519 0.743557 0.552079 O\n0.308843 0.936631 0.903826 O\n0.803832 0.672146 0.160192 O\n0.801229 0.924781 0.757833 O\n0.325512 0.663769 0.996124 O\n0.671112 0.862401 0.507894 O\n0.188691 0.797557 0.329272 O\n0.577033 0.991335 0.306536 O\n",
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"formula_full": "Li4 Mn8 B8 O24",
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},
{
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"structure_string": "Eu4 Ho8 Se16\n1.0\n0.000000 -4.112547 0.000000\n-12.520117 0.000000 0.000000\n0.000000 0.000000 -14.864559\nEu Ho Se\n4 8 16\ndirect\n0.750000 0.741234 0.164719 Eu\n0.750000 0.241234 0.335281 Eu\n0.250000 0.258766 0.835281 Eu\n0.250000 0.758766 0.664719 Eu\n0.750000 0.082157 0.598159 Ho\n0.750000 0.582157 0.901841 Ho\n0.250000 0.917843 0.401841 Ho\n0.250000 0.417843 0.098159 Ho\n0.750000 0.064627 0.110473 Ho\n0.750000 0.564627 0.389527 Ho\n0.250000 0.935373 0.889527 Ho\n0.250000 0.435374 0.610473 Ho\n0.750000 0.293431 0.674782 Se\n0.750000 0.793431 0.825218 Se\n0.250000 0.706569 0.325218 Se\n0.250000 0.206569 0.174782 Se\n0.750000 0.368492 0.969781 Se\n0.750000 0.868492 0.530219 Se\n0.250000 0.631508 0.030219 Se\n0.250000 0.131508 0.469781 Se\n0.750000 0.974756 0.284308 Se\n0.750000 0.474756 0.215692 Se\n0.250000 0.025244 0.715692 Se\n0.250000 0.525244 0.784308 Se\n0.750000 0.090146 0.921350 Se\n0.750000 0.590146 0.578650 Se\n0.250000 0.909854 0.078650 Se\n0.250000 0.409854 0.421350 Se\n",
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"elements": [
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],
"chemical_system": "Eu-Ho-Se",
"density": 6.922423076480214,
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"volume": 765.3697453227081,
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"formula_full": "Eu4 Ho8 Se16",
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"energy": -195.23347439,
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}
]
}