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{
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{
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"structure_string": "Mg2 Ti4 S8\n1.0\n-3.564839 3.566863 4.983298\n3.564839 -3.566863 4.983298\n3.564839 3.566863 -4.983298\nMg Ti S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.760971 0.753127 0.007844 S\n0.250514 0.756215 0.005700 S\n0.245282 0.753127 0.492156 S\n0.749486 0.755186 0.505700 S\n0.754718 0.246873 0.507844 S\n0.749486 0.243785 0.994300 S\n0.250514 0.244814 0.494300 S\n0.239029 0.246873 0.992156 S\n",
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"volume_molar": 10.902499261559655,
"formula_full": "Mg2 Ti4 S8",
"formula_reduced": "Mg(TiS2)2",
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{
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"formula_full": "Tl2 Bi1 Sb1 Te4",
"formula_reduced": "Tl2BiSbTe4",
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"spacegroup": 10
},
{
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"created_at": "2022-09-04T14:40:00.949197Z",
"structure_string": "Eu2 Pd6 S8\n1.0\n6.738937 0.000000 0.000000\n0.000000 6.738937 0.000000\n0.000000 0.000000 6.738937\nEu Pd S\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.750000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.000000 0.500000 0.750000 Pd\n0.000000 0.500000 0.250000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.250000 0.250000 0.250000 S\n0.750000 0.250000 0.750000 S\n",
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"elements": [
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],
"chemical_system": "Eu-Pd-S",
"density": 6.505527253635103,
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"volume": 306.037178230372,
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"formula_full": "Eu2 Pd6 S8",
"formula_reduced": "EuPd3S4",
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"spacegroup": 223
}
]
}