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{
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{
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"structure_string": "Hf1 Pt3\n1.0\n4.033489 0.000000 0.000000\n0.000000 4.033489 0.000000\n0.000000 0.000000 4.033489\nHf Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
"id": "mp-1198191",
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{
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"structure_string": "Si4 O8\n1.0\n4.933881 0.000000 0.000000\n-1.573276 6.595480 0.000000\n-0.775173 -3.477331 6.030780\nSi O\n4 8\ndirect\n0.103746 0.050927 0.526475 Si\n0.955514 0.799165 0.241660 Si\n0.689979 0.110903 0.752773 Si\n0.443444 0.496903 0.372893 Si\n0.609522 0.377139 0.640733 O\n0.972614 0.864953 0.434207 O\n0.889839 0.027004 0.002960 O\n0.693821 0.599903 0.238056 O\n0.854278 0.096662 0.597658 O\n0.379175 0.955476 0.744052 O\n0.261254 0.708098 0.292644 O\n0.223767 0.289614 0.333639 O\n",
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{
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"total_magnetization": 5.5727581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.803000Z",
"spacegroup": 139
},
{
"id": "mp-861968",
"created_at": "2022-09-04T14:39:49.020008Z",
"structure_string": "Er2 Cl4\n1.0\n6.840937 0.000000 0.000000\n0.000000 6.840937 0.000000\n0.000000 0.000000 3.437541\nEr Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.280173 0.280173 0.000000 Cl\n0.719827 0.719827 0.000000 Cl\n0.219827 0.780173 0.500000 Cl\n0.780173 0.219827 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Cl"
],
"chemical_system": "Cl-Er",
"density": 4.9167481585326716,
"density_atomic": 0.037296852395255695,
"volume": 160.871484178199,
"volume_molar": 16.146512033187125,
"formula_full": "Er2 Cl4",
"formula_reduced": "ErCl2",
"formula_anonymous": "AB2",
"energy": -29.98376837,
"energy_per_atom": -4.997294728333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.52776837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0227068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.292000Z",
"spacegroup": 136
}
]
}