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{
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{
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{
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{
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"volume_molar": 15.762435667288678,
"formula_full": "Tb22 In12 Ge8",
"formula_reduced": "Tb11(In3Ge2)2",
"formula_anonymous": "A4B6C11",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.911000Z",
"spacegroup": 139
},
{
"id": "mp-1192163",
"created_at": "2022-09-04T14:39:48.633745Z",
"structure_string": "Ba3 Ge16 Rh4\n1.0\n-3.317495 3.317495 11.193083\n3.317495 -3.317495 11.193083\n3.317495 3.317495 -11.193083\nBa Ge Rh\n3 16 4\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.114253 0.114253 0.486674 Ge\n0.627579 0.627579 0.513326 Ge\n0.114253 0.627579 0.000000 Ge\n0.627579 0.114253 0.000000 Ge\n0.885747 0.885747 0.513326 Ge\n0.372421 0.372421 0.486674 Ge\n0.885747 0.372421 0.000000 Ge\n0.372421 0.885747 0.000000 Ge\n0.226933 0.500000 0.726933 Ge\n0.773067 0.500000 0.273067 Ge\n0.500000 0.773067 0.273067 Ge\n0.500000 0.226933 0.726933 Ge\n0.803403 0.803403 0.000000 Ge\n0.196597 0.196597 0.000000 Ge\n0.689406 0.689406 0.000000 Ge\n0.310594 0.310594 0.000000 Ge\n0.911199 0.411199 0.500000 Rh\n0.411199 0.911199 0.500000 Rh\n0.088801 0.588801 0.500000 Rh\n0.588801 0.088801 0.500000 Rh\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ba-Ge-Rh",
"density": 6.692120283579596,
"density_atomic": 0.04667642295606325,
"volume": 492.7541260316802,
"volume_molar": 12.90189003058069,
"formula_full": "Ba3 Ge16 Rh4",
"formula_reduced": "Ba3(Ge4Rh)4",
"formula_anonymous": "A3B4C16",
"energy": -118.63928735,
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"energy_uncorrected": -118.63928735,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.909000Z",
"spacegroup": 139
}
]
}