Ce6Zn8In
Alexandria ALEXAlex-ID: agm072215873 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_231_spg166
CeZn2 Ce2In
2024-10-08 21:26:43.131031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072215873).
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 agm072215873
data_agm072215873
_cell_length_a 6.30283
_cell_length_b 7.42847
_cell_length_c 8.11204
_cell_angle_alpha 101.95037
_cell_angle_beta 109.50677
_cell_angle_gamma 106.66503
_cell_volume 323.11123
_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 0.64262 0.19518 0.50320 1.00000
Ce2 Ce 0.30544 0.95810 0.01154 1.00000
Ce3 Ce 0.79493 0.41765 0.29219 1.00000
Ce4 Ce 0.98310 0.01014 0.33724 1.00000
Ce5 Ce 0.32577 0.23215 0.82324 1.00000
Ce6 Ce 0.83164 0.77989 0.53463 1.00000
Zn1 Zn 0.24659 0.33458 0.19072 1.00000
Zn2 Zn 0.37885 0.85608 0.64089 1.00000
Zn3 Zn 0.97528 0.46935 0.95431 1.00000
Zn4 Zn 0.13434 0.55017 0.71625 1.00000
Zn5 Zn 0.25477 0.72944 0.30127 1.00000
Zn6 Zn 0.81040 0.09860 0.91523 1.00000
Zn7 Zn 0.48203 0.64032 0.11983 1.00000
Zn8 Zn 0.35746 0.46898 0.52565 1.00000
In1 In 0.70316 0.69889 0.88940 1.00000
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