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{
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"structure_string": "Nd4 Si4 Pd8\n1.0\n5.687588 -0.000000 0.000000\n0.000000 6.960613 0.000000\n-0.000000 -0.000000 7.588291\nNd Si Pd\n4 4 8\ndirect\n0.144219 0.750000 0.531200 Nd\n0.855781 0.250000 0.468800 Nd\n0.644219 0.250000 0.968800 Nd\n0.355781 0.750000 0.031200 Nd\n0.851688 0.750000 0.876138 Si\n0.148313 0.250000 0.123862 Si\n0.351687 0.250000 0.623862 Si\n0.648313 0.750000 0.376138 Si\n0.592467 0.551873 0.675699 Pd\n0.407533 0.448126 0.324301 Pd\n0.092467 0.448126 0.824301 Pd\n0.407533 0.051874 0.324301 Pd\n0.907534 0.551873 0.175699 Pd\n0.592467 0.948126 0.675699 Pd\n0.907534 0.948126 0.175699 Pd\n0.092467 0.051874 0.824301 Pd\n",
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"created_at": "2022-09-04T14:38:34.225774Z",
"updated_at": "2022-09-04T14:38:34.225795Z",
"structure_string": "Mg4 Mn2 Ga6\n1.0\n5.051197 -0.002126 0.000000\n-2.194369 4.549652 0.000000\n0.000000 -0.000000 8.438482\nMg Mn Ga\n4 2 6\ndirect\n0.672569 0.327430 0.066319 Mg\n0.327431 0.672569 0.933680 Mg\n0.327431 0.672569 0.566319 Mg\n0.672569 0.327430 0.433681 Mg\n0.845622 0.154378 0.750000 Mn\n0.154378 0.845621 0.250000 Mn\n0.831190 0.639150 0.750000 Ga\n0.168810 0.360849 0.250000 Ga\n0.360849 0.168809 0.750000 Ga\n0.639151 0.831189 0.250000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Ga"
],
"chemical_system": "Ga-Mg-Mn",
"density": 5.3565110404333955,
"density_atomic": 0.06189172735205051,
"volume": 193.88697833140108,
"volume_molar": 9.73012229202306,
"formula_full": "Mg4 Mn2 Ga6",
"formula_reduced": "Mg2MnGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1989670527298854,
"spacegroup": 63
}
]
}