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{
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{
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{
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"structure_string": "Na2 Ce2 Mg12\n1.0\n5.196141 0.000000 0.000000\n0.000000 6.656599 0.000000\n0.000000 0.000000 11.665804\nNa Ce Mg\n2 2 12\ndirect\n0.500000 0.500000 0.165208 Na\n0.500000 0.000000 0.665208 Na\n0.500000 0.000000 0.170225 Ce\n0.500000 0.500000 0.670225 Ce\n0.500000 0.243746 0.422413 Mg\n0.500000 0.756254 0.422413 Mg\n0.000000 0.751801 0.074441 Mg\n0.000000 0.248199 0.074441 Mg\n0.000000 0.000000 0.339355 Mg\n0.000000 0.500000 0.331499 Mg\n0.500000 0.743746 0.922413 Mg\n0.500000 0.256254 0.922413 Mg\n0.000000 0.251801 0.574441 Mg\n0.000000 0.748199 0.574441 Mg\n0.000000 0.500000 0.839355 Mg\n0.000000 0.000000 0.831499 Mg\n",
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{
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{
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{
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{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.16020078999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.963000Z",
"spacegroup": 127
},
{
"id": "mp-1187361",
"created_at": "2022-09-04T14:46:42.566756Z",
"structure_string": "Tb2 Mg6\n1.0\n3.351566 -5.805082 0.000000\n3.351566 5.805082 0.000000\n0.000000 0.000000 5.185462\nTb Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.750000 Tb\n0.162954 0.325908 0.250000 Mg\n0.674092 0.837046 0.250000 Mg\n0.162954 0.837046 0.250000 Mg\n0.837046 0.162954 0.750000 Mg\n0.325908 0.162954 0.750000 Mg\n0.837046 0.674092 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 3.815878432647705,
"density_atomic": 0.03964755410763307,
"volume": 201.77789475441602,
"volume_molar": 15.189186055844486,
"formula_full": "Tb2 Mg6",
"formula_reduced": "TbMg3",
"formula_anonymous": "AB3",
"energy": -19.41706284,
"energy_per_atom": -2.427132855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.41706284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3888038,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.927000Z",
"spacegroup": 194
}
]
}