Tb3CeC2
Alexandria ALEXAlex-ID: agm005692217 · 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
AB2C3_993_spg12
Ce2C3 Ce Tb2C
2023-08-07 08:31:23.846027
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692217).
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 agm005692217
data_agm005692217
_cell_length_a 3.58771
_cell_length_b 8.38873
_cell_length_c 9.69931
_cell_angle_alpha 88.73503
_cell_angle_beta 79.34199
_cell_angle_gamma 77.65247
_cell_volume 280.19540
_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 0.05955 0.07778 0.80312 1.00000
Tb2 Tb 0.94045 0.92222 0.19688 1.00000
Tb3 Tb 0.69321 0.66644 0.94713 1.00000
Tb4 Tb 0.30679 0.33356 0.05287 1.00000
Tb5 Tb 0.81014 0.83238 0.54733 1.00000
Tb6 Tb 0.18986 0.16762 0.45267 1.00000
Ce1 Ce 0.44260 0.41568 0.69912 1.00000
Ce2 Ce 0.55740 0.58432 0.30088 1.00000
C1 C 0.87677 0.37314 0.87332 1.00000
C2 C 0.12323 0.62686 0.12668 1.00000
C3 C 0.62417 0.12323 0.62842 1.00000
C4 C 0.37583 0.87677 0.37158 1.00000
获取直接链接