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"structure_string": "Zr10 Ga2 Sn6\n1.0\n4.364336 -7.559251 0.000000\n4.364336 7.559251 0.000000\n0.000000 0.000000 5.916084\nZr Ga Sn\n10 2 6\ndirect\n0.000000 0.266721 0.250000 Zr\n0.733279 0.000000 0.750000 Zr\n0.733279 0.733279 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.733279 0.750000 Zr\n0.266721 0.266721 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.266721 0.000000 0.250000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.612244 0.000000 0.250000 Sn\n0.387756 0.000000 0.750000 Sn\n0.387756 0.387756 0.250000 Sn\n0.000000 0.612244 0.250000 Sn\n0.000000 0.387756 0.750000 Sn\n0.612244 0.612244 0.750000 Sn\n",
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"elements": [
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],
"chemical_system": "Ga-Sn-Zr",
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"density_atomic": 0.04611171056374583,
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"formula_full": "Zr10 Ga2 Sn6",
"formula_reduced": "Zr5GaSn3",
"formula_anonymous": "AB3C5",
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"energy_per_atom": -7.079542045,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:54.032000Z",
"spacegroup": 193
},
{
"id": "mp-1189138",
"created_at": "2022-09-04T14:47:13.029220Z",
"structure_string": "Y10 Sb6\n1.0\n0.000000 0.000000 -6.294246\n-4.512495 -7.815871 0.000000\n-4.509266 7.814007 0.000000\nY Sb\n10 6\ndirect\n0.500000 0.333326 0.666667 Y\n0.500000 0.666659 0.333333 Y\n0.000000 0.666674 0.333333 Y\n0.000000 0.333341 0.666667 Y\n0.749999 0.247375 0.000000 Y\n0.750001 0.752695 0.752669 Y\n0.750001 0.000026 0.247331 Y\n0.249999 0.752625 0.000000 Y\n0.250001 0.247305 0.247331 Y\n0.250001 0.999974 0.752669 Y\n0.749996 0.612215 0.000000 Sb\n0.750002 0.387770 0.387777 Sb\n0.750002 0.999992 0.612223 Sb\n0.249996 0.387785 0.000000 Sb\n0.250002 0.612230 0.612223 Sb\n0.250002 0.000008 0.387777 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sb-Y",
"density": 6.060399057715862,
"density_atomic": 0.03605449179539376,
"volume": 443.7727229882664,
"volume_molar": 16.702886270523926,
"formula_full": "Y10 Sb6",
"formula_reduced": "Y5Sb3",
"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:38:00.909000Z",
"spacegroup": 193
},
{
"id": "mp-680842",
"created_at": "2022-09-04T14:47:13.291798Z",
"structure_string": "Ca10 Mn2 Pb6\n1.0\n4.759104 -8.243011 0.000000\n4.759104 8.243011 0.000000\n0.000000 0.000000 6.922575\nCa Mn Pb\n10 2 6\ndirect\n0.707675 0.000000 0.750000 Ca\n0.292325 0.000000 0.250000 Ca\n0.292325 0.292325 0.750000 Ca\n0.000000 0.707675 0.750000 Ca\n0.333333 0.666667 0.500000 Ca\n0.666667 0.333333 0.500000 Ca\n0.707675 0.707675 0.250000 Ca\n0.000000 0.292325 0.250000 Ca\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.637522 0.250000 Pb\n0.000000 0.362478 0.750000 Pb\n0.362478 0.000000 0.750000 Pb\n0.362478 0.362478 0.250000 Pb\n0.637522 0.000000 0.250000 Pb\n0.637522 0.637522 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"Pb"
],
"chemical_system": "Ca-Mn-Pb",
"density": 5.362092633333845,
"density_atomic": 0.03314085929995453,
"volume": 543.1361883855769,
"volume_molar": 18.171347657265677,
"formula_full": "Ca10 Mn2 Pb6",
"formula_reduced": "Ca5MnPb3",
"formula_anonymous": "AB3C5",
"energy": -66.09143524,
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"updated_at": "2021-11-28T01:37:55.452000Z",
"spacegroup": 193
}
]
}