TbCeAl
Alexandria ALEXAlex-ID: agm003608992 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_75_spg12
Ce TbAl
2022-03-06 01:43:00.425065
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003608992).
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 agm003608992
data_agm003608992
_cell_length_a 5.13482
_cell_length_b 6.17241
_cell_length_c 6.17182
_cell_angle_alpha 93.44705
_cell_angle_beta 114.57656
_cell_angle_gamma 114.57869
_cell_volume 155.21115
_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
Tb1 Tb 0.23589 0.23588 0.23579 1.00000
Tb2 Tb 0.76411 0.76412 0.76421 1.00000
Ce1 Ce 0.00003 0.65876 0.34133 1.00000
Ce2 Ce 0.99997 0.34124 0.65867 1.00000
Al1 Al 0.50002 0.84753 0.15248 1.00000
Al2 Al 0.49998 0.15247 0.84752 1.00000
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