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{
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{
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"structure_string": "Ca2 Mg12 Sb2\n1.0\n5.415906 0.000000 0.000000\n0.000000 6.292153 0.000000\n0.000000 0.000000 11.657814\nCa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.169532 Ca\n0.500000 0.500000 0.669532 Ca\n0.500000 0.248770 0.417475 Mg\n0.500000 0.751230 0.417475 Mg\n0.000000 0.746417 0.078809 Mg\n0.000000 0.253583 0.078809 Mg\n0.000000 0.000000 0.338071 Mg\n0.000000 0.500000 0.335576 Mg\n0.500000 0.748770 0.917475 Mg\n0.500000 0.251230 0.917475 Mg\n0.000000 0.246417 0.578809 Mg\n0.000000 0.753583 0.578809 Mg\n0.000000 0.500000 0.838071 Mg\n0.000000 0.000000 0.835576 Mg\n0.500000 0.500000 0.164250 Sb\n0.500000 0.000000 0.664250 Sb\n",
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"structure_string": "Ce8 Ge18 Rh26\n1.0\n3.981853 0.000000 0.000000\n0.000000 11.382743 0.000000\n0.000000 0.000000 19.675991\nCe Ge Rh\n8 18 26\ndirect\n0.250000 0.560252 0.708017 Ce\n0.750000 0.439748 0.291983 Ce\n0.750000 0.060252 0.291983 Ce\n0.250000 0.939748 0.708017 Ce\n0.250000 0.750000 0.521283 Ce\n0.750000 0.250000 0.478717 Ce\n0.250000 0.250000 0.020205 Ce\n0.750000 0.750000 0.979795 Ce\n0.250000 0.250000 0.601872 Ge\n0.750000 0.750000 0.398128 Ge\n0.250000 0.061290 0.419157 Ge\n0.750000 0.938710 0.580843 Ge\n0.750000 0.561290 0.580843 Ge\n0.250000 0.438710 0.419157 Ge\n0.250000 0.566589 0.915206 Ge\n0.750000 0.433411 0.084794 Ge\n0.750000 0.066589 0.084794 Ge\n0.250000 0.933411 0.915206 Ge\n0.250000 0.623766 0.229795 Ge\n0.750000 0.376234 0.770205 Ge\n0.750000 0.123766 0.770205 Ge\n0.250000 0.876234 0.229795 Ge\n0.250000 0.750000 0.102672 Ge\n0.750000 0.250000 0.897328 Ge\n0.250000 0.250000 0.230838 Ge\n0.750000 0.750000 0.769162 Ge\n0.250000 0.449535 0.546185 Rh\n0.750000 0.550465 0.453815 Rh\n0.750000 0.949535 0.453815 Rh\n0.250000 0.050465 0.546185 Rh\n0.250000 0.435202 0.164754 Rh\n0.750000 0.564798 0.835246 Rh\n0.750000 0.935202 0.835246 Rh\n0.250000 0.064798 0.164754 Rh\n0.250000 0.376726 0.854556 Rh\n0.750000 0.623274 0.145444 Rh\n0.750000 0.876726 0.145444 Rh\n0.250000 0.123274 0.854556 Rh\n0.250000 0.558655 0.040688 Rh\n0.750000 0.441345 0.959312 Rh\n0.750000 0.058655 0.959312 Rh\n0.250000 0.941345 0.040688 Rh\n0.250000 0.626802 0.356865 Rh\n0.750000 0.373198 0.643135 Rh\n0.750000 0.126802 0.643135 Rh\n0.250000 0.873198 0.356865 Rh\n0.250000 0.750000 0.844024 Rh\n0.750000 0.250000 0.155976 Rh\n0.250000 0.250000 0.357011 Rh\n0.750000 0.750000 0.642989 Rh\n0.250000 0.250000 0.727410 Rh\n0.750000 0.750000 0.272590 Rh\n",
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],
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"volume_molar": 10.3280023329106,
"formula_full": "Ce8 Ge18 Rh26",
"formula_reduced": "Ce4Ge9Rh13",
"formula_anonymous": "A4B9C13",
"energy": -365.21425252,
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"formation_energy": null,
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"energy_uncorrected": -365.21425252,
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"updated_at": "2021-11-28T01:34:28.703000Z",
"spacegroup": 59
},
{
"id": "mp-4271",
"created_at": "2022-09-04T14:39:06.033944Z",
"structure_string": "Eu2 Ta2 O8\n1.0\n5.632070 3.581244 0.000000\n-5.632070 3.581244 0.000000\n0.000000 3.292252 3.958528\nEu Ta O\n2 2 8\ndirect\n0.633354 0.366646 0.750000 Eu\n0.366646 0.633354 0.250000 Eu\n0.097456 0.902544 0.750000 Ta\n0.902544 0.097456 0.250000 Ta\n0.796064 0.735594 0.205760 O\n0.264406 0.203936 0.294240 O\n0.203936 0.264406 0.794240 O\n0.735594 0.796064 0.705760 O\n0.359184 0.944395 0.837744 O\n0.055605 0.640816 0.662256 O\n0.640816 0.055605 0.162256 O\n0.944395 0.359184 0.337744 O\n",
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"elements": [
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],
"chemical_system": "Eu-O-Ta",
"density": 8.254768392514315,
"density_atomic": 0.07514767934204947,
"volume": 159.68556986809446,
"volume_molar": 8.01374149238733,
"formula_full": "Eu2 Ta2 O8",
"formula_reduced": "EuTaO4",
"formula_anonymous": "ABC4",
"energy": -124.02357175999998,
"energy_per_atom": -10.335297646666666,
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"band_gap": 0.0,
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"total_magnetization": 12.0000001,
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"updated_at": "2021-11-28T01:34:31.330000Z",
"spacegroup": 15
}
]
}