CeThFe
Alexandria ALEXAlex-ID: agm005647216 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_75_spg12
Th7Fe3 Ce CeFe
2023-06-17 08:04:06.871195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647216).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005647216
data_agm005647216
_cell_length_a 4.50318
_cell_length_b 5.91877
_cell_length_c 6.66385
_cell_angle_alpha 120.30076
_cell_angle_beta 90.00000
_cell_angle_gamma 112.35942
_cell_volume 137.66198
_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 0.85624 0.71248 0.49183 1.00000
Ce2 Ce 0.14376 0.28752 0.50817 1.00000
Th1 Th 0.59301 0.18603 0.87658 1.00000
Th2 Th 0.40699 0.81397 0.12342 1.00000
Fe1 Fe 0.85058 0.70117 0.81030 1.00000
Fe2 Fe 0.14942 0.29883 0.18970 1.00000
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