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{
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{
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{
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{
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{
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{
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"structure_string": "Cs1 Yb1 S2\n1.0\n7.896859 -2.134890 0.000000\n7.896859 2.134890 0.000000\n7.319698 0.000000 3.652417\nCs Yb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Yb\n0.773549 0.773549 0.773549 S\n0.226451 0.226451 0.226451 S\n",
"nsites": 4,
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"elements": [
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"Yb",
"S"
],
"chemical_system": "Cs-S-Yb",
"density": 4.989983824166051,
"density_atomic": 0.032480279181290726,
"volume": 123.15165081167399,
"volume_molar": 18.540914400356726,
"formula_full": "Cs1 Yb1 S2",
"formula_reduced": "CsYbS2",
"formula_anonymous": "ABC2",
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"formation_energy": null,
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"energy_uncorrected": -15.76133913,
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{
"id": "mp-22505",
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"structure_string": "Gd1 Al3 Pd2\n1.0\n2.717326 -4.706546 0.000000\n2.717326 4.706546 0.000000\n0.000000 0.000000 4.221830\nGd Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
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"elements": [
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"Pd"
],
"chemical_system": "Al-Gd-Pd",
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"formula_full": "Gd1 Al3 Pd2",
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"formula_anonymous": "AB2C3",
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}
]
}