Ce(Al3Zn4)2
Alexandria ALEXAlex-ID: agm072998024 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_113_spg148
Ce2Al2Zn15 Al3Zn4 Ce(AlZn)2
2024-10-05 03:55:56.179896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072998024).
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 agm072998024
data_agm072998024
_cell_length_a 6.67071
_cell_length_b 6.67071
_cell_length_c 6.67071
_cell_angle_alpha 71.76099
_cell_angle_beta 71.76099
_cell_angle_gamma 71.76099
_cell_volume 260.03932
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.83139 0.66805 0.42129 1.00000
Al2 Al 0.66805 0.42129 0.83139 1.00000
Al3 Al 0.42129 0.83139 0.66805 1.00000
Al4 Al 0.16861 0.33195 0.57871 1.00000
Al5 Al 0.33195 0.57871 0.16861 1.00000
Al6 Al 0.57871 0.16861 0.33195 1.00000
Zn1 Zn 0.79027 0.79027 0.79027 1.00000
Zn2 Zn 0.20973 0.20973 0.20973 1.00000
Zn3 Zn 0.19136 0.52682 0.85809 1.00000
Zn4 Zn 0.52682 0.85809 0.19136 1.00000
Zn5 Zn 0.85809 0.19136 0.52682 1.00000
Zn6 Zn 0.80864 0.47318 0.14191 1.00000
Zn7 Zn 0.47318 0.14191 0.80864 1.00000
Zn8 Zn 0.14191 0.80864 0.47318 1.00000
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