Ce2PbAu4
Alexandria ALEXAlex-ID: agm006014289 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_118_spg166
CePbAu2 CeAu2
2023-09-06 20:22:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014289).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm006014289
data_agm006014289
_cell_length_a 5.00918
_cell_length_b 5.00918
_cell_length_c 8.79823
_cell_angle_alpha 73.46090
_cell_angle_beta 73.46091
_cell_angle_gamma 60.00000
_cell_volume 180.56358
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.86927 0.86927 0.39220 1.00000
Au2 Au 0.13073 0.13073 0.60780 1.00000
Au3 Au 0.61887 0.61887 0.14339 1.00000
Au4 Au 0.38113 0.38113 0.85661 1.00000
Ce1 Ce 0.74894 0.74894 0.75317 1.00000
Ce2 Ce 0.25106 0.25106 0.24683 1.00000
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