TaCdCl
Alexandria ALEXAlex-ID: agm002054792 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_4681_spg8
Ta2Cl5 Ta Cd
2021-10-23 06:15:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002054792).
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 agm002054792
data_agm002054792
_cell_length_a 3.04725
_cell_length_b 5.97376
_cell_length_c 8.69254
_cell_angle_alpha 102.86523
_cell_angle_beta 99.62305
_cell_angle_gamma 104.97398
_cell_volume 144.72093
_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
Cl1 Cl 0.93802 0.52347 0.09711 1.00000
Cl2 Cl 0.99187 0.92799 0.82873 1.00000
Cd1 Cd 0.84814 0.08686 0.36545 1.00000
Cd2 Cd 0.63424 0.39077 0.64541 1.00000
Ta1 Ta 0.32948 0.83633 0.58515 1.00000
Ta2 Ta 0.55590 0.53651 0.32919 1.00000
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