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"structure_string": "Mg2 V4 O12\n1.0\n4.826741 -0.139798 0.000993\n-0.154682 5.264395 0.007586\n-0.001599 -0.010664 8.134043\nMg V O\n2 4 12\ndirect\n0.586793 0.495144 0.751731 Mg\n0.086937 -0.003952 0.248296 Mg\n0.470258 0.988586 0.941895 V\n0.970165 0.488856 0.058100 V\n0.049150 0.476609 0.518310 V\n0.549150 0.976423 0.481710 V\n0.676907 0.993784 0.289532 O\n0.176843 0.493967 0.710493 O\n0.707877 0.751057 0.932968 O\n0.207182 0.774297 0.060895 O\n0.726609 0.273368 0.567556 O\n0.707618 0.273605 0.939212 O\n0.208309 0.251852 0.066941 O\n0.351605 -0.002343 0.752557 O\n0.226222 0.773847 0.432474 O\n0.734292 0.748408 0.574109 O\n0.234733 0.248970 0.425876 O\n0.851529 0.497456 0.247450 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.5731613886433924,
"density_atomic": 0.08716306258782969,
"volume": 206.50949456786623,
"volume_molar": 6.9090513586897,
"formula_full": "Mg2 V4 O12",
"formula_reduced": "MgV2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6534364944444446,
"spacegroup": 7
},
{
"id": "jvasp-115764",
"created_at": "2022-09-04T14:38:39.466763Z",
"updated_at": "2022-09-04T14:38:39.466786Z",
"structure_string": "Na1 C1 S1\n1.0\n4.323554 -0.000000 0.000000\n-2.161777 3.744307 -0.000000\n-0.000000 0.000000 3.503885\nNa C S\n1 1 1\ndirect\n0.333332 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 C\n0.666665 0.333334 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "C-Na-S",
"density": 1.96329646238473,
"density_atomic": 0.05288823494911098,
"volume": 56.72339042674799,
"volume_molar": 11.386541384477097,
"formula_full": "Na1 C1 S1",
"formula_reduced": "NaCS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.653333,
"spacegroup": 187
}
]
}