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"created_at": "2022-09-04T15:16:57.920519Z",
"updated_at": "2022-09-04T15:16:57.920550Z",
"structure_string": "K4 Mg6\n1.0\n-8.721760 -0.000000 0.000000\n4.360880 -7.553266 0.000000\n-4.360880 2.517756 6.614258\nK Mg\n4 6\ndirect\n0.589544 0.410455 0.231368 K\n0.910456 0.089544 0.268632 K\n0.089544 0.910456 0.731369 K\n0.410456 0.589543 0.768632 K\n0.455507 0.750000 0.249999 Mg\n0.044493 0.544493 0.249999 Mg\n0.250000 0.955506 0.249999 Mg\n0.544494 0.250000 0.749999 Mg\n0.955507 0.455507 0.749999 Mg\n0.750000 0.044493 0.749999 Mg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.151746376704514,
"density_atomic": 0.022949855612446342,
"volume": 435.73258886111347,
"volume_molar": 26.240429838408335,
"formula_full": "K4 Mg6",
"formula_reduced": "K2Mg3",
"formula_anonymous": "A2B3",
"formation_energy": 0.403435744499998,
"spacegroup": 167
},
{
"id": "oqmd-21067",
"created_at": "2022-09-04T14:49:04.082265Z",
"updated_at": "2022-09-04T14:49:04.082296Z",
"structure_string": "Na1 B1 H4\n1.0\n3.010048 -3.010048 0.000000\n-3.010048 0.000000 -3.010048\n3.010048 3.010048 0.000000\nB H Na\n1 4 1\ndirect\n0.500000 0.000000 0.500000 B\n0.617384 0.234767 0.382617 H\n0.147850 0.765234 0.382617 H\n0.617384 0.765234 0.382617 H\n0.617382 0.234767 0.852149 H\n0.000000 0.000000 0.000000 Na\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"H",
"Na"
],
"chemical_system": "B-H-Na",
"density": 1.1517658968604054,
"density_atomic": 0.11000210381690825,
"volume": 54.544411350410456,
"volume_molar": 5.4745687137252235,
"formula_full": "Na1 B1 H4",
"formula_reduced": "NaBH4",
"formula_anonymous": "ABC4",
"formation_energy": -0.337391786598059,
"spacegroup": 216
}
]
}