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{
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{
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{
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{
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"created_at": "2022-09-04T14:48:12.538563Z",
"structure_string": "Pd8 C16 Cl8 O16\n1.0\n-7.475472 7.475472 4.888752\n7.475472 -7.475472 4.888752\n7.475472 7.475472 -4.888752\nPd C Cl O\n8 16 8 16\ndirect\n0.772845 0.398796 0.080669 Pd\n0.942177 0.068127 0.419331 Pd\n0.477155 0.057823 0.125950 Pd\n0.601204 0.681873 0.374050 Pd\n0.307823 0.227155 0.625950 Pd\n0.931873 0.351204 0.874050 Pd\n0.648796 0.522845 0.580669 Pd\n0.318127 0.692177 0.919331 Pd\n0.259890 0.255927 0.775739 C\n0.480188 0.484151 0.224261 C\n0.505927 0.009890 0.275739 C\n0.019253 0.113235 0.280489 C\n0.769812 0.494073 0.503963 C\n0.734151 0.230188 0.724261 C\n0.886765 0.167254 0.906018 C\n0.990110 0.265849 0.496037 C\n0.515849 0.740110 0.996037 C\n0.744073 0.519812 0.003963 C\n0.363235 0.769253 0.780489 C\n0.261236 0.980747 0.093982 C\n0.832746 0.738764 0.719511 C\n0.417254 0.636765 0.406018 C\n0.988764 0.582746 0.219511 C\n0.230747 0.011236 0.593982 C\n0.203059 0.548575 0.067579 Cl\n0.480995 0.135480 0.932421 Cl\n0.046941 0.614520 0.845516 Cl\n0.798575 0.953059 0.567579 Cl\n0.864520 0.796941 0.345516 Cl\n0.385480 0.230995 0.432421 Cl\n0.451425 0.519005 0.654484 Cl\n0.769005 0.201425 0.154484 Cl\n0.745814 0.607773 0.970652 O\n0.392226 0.362879 0.138041 O\n0.612879 0.142227 0.638041 O\n0.224838 0.254186 0.861959 O\n0.072857 0.171142 0.210932 O\n0.025162 0.387121 0.529348 O\n0.857773 0.495814 0.470652 O\n0.111925 0.710210 0.289068 O\n0.421142 0.822857 0.710932 O\n0.828858 0.039790 0.901715 O\n0.289790 0.578858 0.401715 O\n0.138075 0.927143 0.098285 O\n0.177143 0.888075 0.598285 O\n0.637121 0.775162 0.029348 O\n0.504186 0.974838 0.361959 O\n0.960210 0.861925 0.789068 O\n",
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{
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"structure_string": "Th8 P12 O46\n1.0\n7.196518 0.000000 0.000000\n0.000000 10.548818 0.035495\n0.000000 0.067001 12.877531\nTh P O\n8 12 46\ndirect\n0.250000 0.021929 0.686654 Th\n0.250000 0.509653 0.413617 Th\n0.250000 0.977993 0.186597 Th\n0.250000 0.493125 0.911944 Th\n0.750000 0.978071 0.313346 Th\n0.750000 0.022007 0.813403 Th\n0.750000 0.490347 0.586383 Th\n0.750000 0.506875 0.088056 Th\n0.958022 0.724232 0.757692 P\n0.250000 0.628649 0.133802 P\n0.250000 0.128656 0.919082 P\n0.250000 0.373265 0.635818 P\n0.250000 0.871546 0.420556 P\n0.458022 0.275768 0.242308 P\n0.541978 0.724232 0.757692 P\n0.750000 0.128454 0.579444 P\n0.750000 0.371351 0.866198 P\n0.750000 0.626735 0.364182 P\n0.750000 0.871344 0.080918 P\n0.041978 0.275768 0.242308 P\n0.023932 0.863433 0.745360 O\n0.059378 0.344696 0.344346 O\n0.059142 0.652938 0.842615 O\n0.081276 0.086222 0.850168 O\n0.082813 0.914716 0.350358 O\n0.081912 0.580860 0.068680 O\n0.082008 0.422106 0.570200 O\n0.250000 0.248363 0.195357 O\n0.250000 0.571062 0.243727 O\n0.250000 0.052411 0.022939 O\n0.250000 0.228717 0.642066 O\n0.250000 0.729828 0.442231 O\n0.250000 0.773626 0.140906 O\n0.250000 0.428538 0.745199 O\n0.250000 0.945333 0.523750 O\n0.250000 0.269895 0.939909 O\n0.418088 0.580860 0.068680 O\n0.417992 0.422106 0.570200 O\n0.418724 0.086222 0.850168 O\n0.417187 0.914716 0.350358 O\n0.440622 0.344696 0.344346 O\n0.440858 0.652938 0.842615 O\n0.523932 0.136567 0.254640 O\n0.476068 0.863433 0.745360 O\n0.559142 0.347062 0.157385 O\n0.559378 0.655304 0.655654 O\n0.582813 0.085284 0.649642 O\n0.581276 0.913778 0.149832 O\n0.581912 0.419140 0.931320 O\n0.582008 0.577894 0.429800 O\n0.750000 0.730105 0.060091 O\n0.750000 0.054667 0.476250 O\n0.750000 0.226374 0.859094 O\n0.750000 0.270172 0.557769 O\n0.750000 0.571462 0.254801 O\n0.750000 0.751637 0.804643 O\n0.750000 0.771283 0.357934 O\n0.750000 0.947589 0.977061 O\n0.750000 0.428938 0.756273 O\n0.918088 0.419140 0.931320 O\n0.917992 0.577894 0.429800 O\n0.917187 0.085284 0.649642 O\n0.918724 0.913778 0.149832 O\n0.940858 0.347062 0.157385 O\n0.940622 0.655304 0.655654 O\n0.976068 0.136567 0.254640 O\n",
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"structure_string": "Ca6 Ti4 O14\n1.0\n2.731521 -9.737793 0.000000\n2.731521 9.737793 0.000000\n0.000000 0.000000 5.537287\nCa Ti O\n6 4 14\ndirect\n0.253586 0.253586 0.961184 Ca\n0.746414 0.746414 0.461184 Ca\n0.553818 0.929128 0.544023 Ca\n0.446182 0.070872 0.044023 Ca\n0.929128 0.553818 0.544023 Ca\n0.070872 0.446182 0.044023 Ca\n0.151203 0.351233 0.511477 Ti\n0.848797 0.648767 0.011477 Ti\n0.648767 0.848797 0.011477 Ti\n0.351233 0.151203 0.511477 Ti\n0.155043 0.928236 0.784897 O\n0.844957 0.071764 0.284897 O\n0.071764 0.844957 0.284897 O\n0.928236 0.155043 0.784897 O\n0.622666 0.455076 0.702984 O\n0.377334 0.544924 0.202984 O\n0.544924 0.377334 0.202984 O\n0.455076 0.622666 0.702984 O\n0.879533 0.484031 0.973871 O\n0.120467 0.515969 0.473871 O\n0.824350 0.824350 0.012712 O\n0.175650 0.175650 0.512712 O\n0.484031 0.879533 0.973871 O\n0.515969 0.120467 0.473871 O\n",
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"elements": [
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],
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"formula_full": "Ca6 Ti4 O14",
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{
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},
{
"id": "mp-1215692",
"created_at": "2022-09-04T14:48:04.973085Z",
"structure_string": "Yb4 Ge8 Pt4\n1.0\n4.401563 0.000000 0.000000\n0.000000 8.907553 0.000000\n2.200782 4.453776 8.083599\nYb Ge Pt\n4 8 4\ndirect\n0.202987 0.202974 0.594051 Yb\n0.797039 0.797026 0.405949 Yb\n0.001590 0.242209 0.000000 Yb\n0.001590 0.757791 0.000000 Yb\n0.574894 0.074941 0.850118 Ge\n0.425012 0.925059 0.149882 Ge\n0.198772 0.548945 0.604408 Ge\n0.803180 0.451055 0.395592 Ge\n0.803180 0.153354 0.395592 Ge\n0.198772 0.846646 0.604408 Ge\n0.441486 0.422724 0.154552 Ge\n0.596038 0.577276 0.845448 Ge\n0.351368 0.603821 0.296393 Pt\n0.647761 0.396179 0.703607 Pt\n0.647761 0.900214 0.703607 Pt\n0.351368 0.099786 0.296393 Pt\n",
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"elements": [
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],
"chemical_system": "Ge-Pt-Yb",
"density": 10.759652315167097,
"density_atomic": 0.05048354963575532,
"volume": 316.9349246525227,
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"formula_full": "Yb4 Ge8 Pt4",
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"updated_at": "2021-11-28T01:38:29.214000Z",
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}
]
}