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{
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{
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{
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{
"id": "mp-1206725",
"created_at": "2022-09-04T14:39:14.964916Z",
"structure_string": "Li1 Al1 Pd1\n1.0\n-2.107697 -3.652615 -0.004132\n-2.107646 3.652585 0.004133\n0.000001 -0.002425 -2.735608\nLi Al Pd\n1 1 1\ndirect\n0.333309 0.666696 0.999984 Li\n0.000023 0.999974 0.000004 Al\n0.666668 0.333330 0.500012 Pd\n",
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{
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{
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"structure_string": "Hf10 Zn2 Sb6\n1.0\n4.300491 -7.448669 0.000000\n4.300491 7.448669 0.000000\n0.000000 0.000000 5.786708\nHf Zn Sb\n10 2 6\ndirect\n0.730888 0.730888 0.250000 Hf\n0.730888 0.000000 0.750000 Hf\n0.000000 0.269112 0.250000 Hf\n0.000000 0.730888 0.750000 Hf\n0.269112 0.269112 0.750000 Hf\n0.269112 0.000000 0.250000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.386041 0.000000 0.750000 Sb\n0.386041 0.386041 0.250000 Sb\n0.000000 0.613959 0.250000 Sb\n0.000000 0.386041 0.750000 Sb\n0.613959 0.613959 0.750000 Sb\n0.613959 0.000000 0.250000 Sb\n",
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{
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{
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{
"id": "mp-20648",
"created_at": "2022-09-04T14:39:14.932409Z",
"structure_string": "V8 C4\n1.0\n4.556936 0.000000 0.000000\n0.000000 5.043075 0.000000\n0.000000 0.000000 5.733799\nV C\n8 4\ndirect\n0.245984 0.076375 0.881873 V\n0.745984 0.923625 0.618127 V\n0.254016 0.576375 0.618127 V\n0.754016 0.423625 0.881873 V\n0.245984 0.576375 0.118127 V\n0.745984 0.423625 0.381873 V\n0.254016 0.076375 0.381873 V\n0.754016 0.923625 0.118127 V\n0.500000 0.750000 0.872762 C\n0.000000 0.250000 0.627238 C\n0.500000 0.250000 0.127238 C\n0.000000 0.750000 0.372762 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.74113778580138,
"density_atomic": 0.09106897013776527,
"volume": 131.76826290938516,
"volume_molar": 6.612725224508371,
"formula_full": "V8 C4",
"formula_reduced": "V2C",
"formula_anonymous": "AB2",
"energy": -115.23670049,
"energy_per_atom": -9.603058374166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.23670049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.928000Z",
"spacegroup": 60
}
]
}