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{
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{
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"structure_string": "Yb10 Pb6\n1.0\n4.728667 -8.190291 0.000000\n4.728667 8.190291 0.000000\n0.000000 0.000000 6.830110\nYb Pb\n10 6\ndirect\n0.000000 0.732540 0.750000 Yb\n0.732540 0.732540 0.250000 Yb\n0.267460 0.267460 0.750000 Yb\n0.732540 0.000000 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.267460 0.000000 0.250000 Yb\n0.000000 0.267460 0.250000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.389077 0.389077 0.250000 Pb\n0.000000 0.389077 0.750000 Pb\n0.610923 0.610923 0.750000 Pb\n0.000000 0.610923 0.250000 Pb\n0.610923 0.000000 0.250000 Pb\n0.389077 0.000000 0.750000 Pb\n",
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{
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{
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{
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"created_at": "2022-09-04T14:47:12.116714Z",
"structure_string": "Ce14 Ni6\n1.0\n0.000000 0.000000 -5.988055\n-4.740462 -8.189593 0.000000\n-4.740462 8.189593 0.000000\nCe Ni\n14 6\ndirect\n0.416312 0.333272 0.666728 Ce\n0.916312 0.666728 0.333272 Ce\n0.243018 0.129078 0.870922 Ce\n0.244020 0.741500 0.870407 Ce\n0.244020 0.129593 0.258500 Ce\n0.743018 0.870922 0.129078 Ce\n0.744020 0.258500 0.129593 Ce\n0.744020 0.870407 0.741500 Ce\n0.471575 0.540957 0.459043 Ce\n0.471761 0.917871 0.458786 Ce\n0.471761 0.541214 0.082129 Ce\n0.971575 0.459043 0.540957 Ce\n0.971761 0.082129 0.541214 Ce\n0.971761 0.458786 0.917871 Ce\n0.198902 0.812413 0.187587 Ni\n0.198815 0.375165 0.187392 Ni\n0.198815 0.812608 0.624835 Ni\n0.698902 0.187587 0.812413 Ni\n0.698815 0.624835 0.812608 Ni\n0.698815 0.187392 0.375165 Ni\n",
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"formula_full": "Ce3 Sn7",
"formula_reduced": "Ce3Sn7",
"formula_anonymous": "A3B7",
"energy": -51.7479903,
"energy_per_atom": -5.17479903,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.7479903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0086127,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.690000Z",
"spacegroup": 65
},
{
"id": "mp-1006887",
"created_at": "2022-09-04T14:47:09.725025Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.428117 2.428117\n2.428117 0.000000 2.428117\n2.428117 2.428117 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 7.216164152184209,
"density_atomic": 0.0698539825235262,
"volume": 28.63115212259255,
"volume_molar": 8.621041410161254,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy": -6.17133861,
"energy_per_atom": -3.085669305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17133861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.588000Z",
"spacegroup": 225
}
]
}