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"structure_string": "Co1 Cu2 H6 Rh1\n1.0\n0.000000 3.276823 3.276823\n3.276823 0.000000 3.276823\n3.276823 3.276823 0.000000\nCo Cu H Rh\n1 2 6 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.758774 0.241226 0.241226 H\n0.241226 0.758774 0.241226 H\n0.758774 0.758774 0.241226 H\n0.241226 0.241226 0.758774 H\n0.758774 0.241226 0.758774 H\n0.241226 0.758774 0.758774 H\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"Cu",
"H",
"Rh"
],
"chemical_system": "Co-Cu-H-Rh",
"density": 6.960657613970903,
"density_atomic": 0.14210555479603107,
"volume": 70.37022595178169,
"volume_molar": 4.237794059946343,
"formula_full": "Co1 Cu2 H6 Rh1",
"formula_reduced": "CoCu2H6Rh",
"formula_anonymous": "ABC2D6",
"formation_energy": 0.1697592786894951,
"spacegroup": 225
},
{
"id": "oqmd-325094",
"created_at": "2022-09-04T14:51:00.544186Z",
"updated_at": "2022-09-04T14:51:00.544227Z",
"structure_string": "Cr2 B6\n1.0\n4.360784 -0.000160 0.000036\n-2.180530 3.776561 -0.000021\n0.000028 -0.000003 3.419001\nB Cr\n6 2\ndirect\n0.137631 0.862375 0.249998 B\n0.137648 0.275278 0.250000 B\n0.724711 0.862347 0.250001 B\n0.275361 0.137688 0.749995 B\n0.862335 0.137662 0.750000 B\n0.862316 0.724651 0.750001 B\n0.666679 0.333332 0.250001 Cr\n0.333321 0.666669 0.750000 Cr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Cr"
],
"chemical_system": "B-Cr",
"density": 4.979894544196163,
"density_atomic": 0.14208194058905807,
"volume": 56.30553726133503,
"volume_molar": 4.238498386939806,
"formula_full": "Cr2 B6",
"formula_reduced": "CrB3",
"formula_anonymous": "AB3",
"formation_energy": 0.211905113749999,
"spacegroup": 194
}
]
}