Tm2Cd3Ag4
Alexandria ALEXAlex-ID: agm003334530 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_206_spg64
Cd8Ag5 TmCd3 TmCdAg2
2022-01-26 22:45:37.889537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003334530).
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 agm003334530
data_agm003334530
_cell_length_a 5.82437
_cell_length_b 7.94334
_cell_length_c 9.06673
_cell_angle_alpha 90.00000
_cell_angle_beta 108.73520
_cell_angle_gamma 90.00000
_cell_volume 397.24536
_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
Tm1 Tm 0.09522 0.60551 0.19044 1.00000
Tm2 Tm 0.90478 0.39449 0.80956 1.00000
Tm3 Tm 0.40478 0.10551 0.80956 1.00000
Tm4 Tm 0.59522 0.89449 0.19044 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.50000 0.50000 0.00000 1.00000
Cd3 Cd 0.51037 0.75000 0.52074 1.00000
Cd4 Cd 0.98963 0.25000 0.47926 1.00000
Cd5 Cd 0.48963 0.25000 0.47926 1.00000
Cd6 Cd 0.01037 0.75000 0.52074 1.00000
Ag1 Ag 0.67792 0.75000 0.85584 1.00000
Ag2 Ag 0.82208 0.25000 0.14416 1.00000
Ag3 Ag 0.32208 0.25000 0.14416 1.00000
Ag4 Ag 0.17792 0.75000 0.85584 1.00000
Ag5 Ag 0.16298 0.97690 0.32595 1.00000
Ag6 Ag 0.83702 0.02310 0.67405 1.00000
Ag7 Ag 0.33702 0.47690 0.67405 1.00000
Ag8 Ag 0.66298 0.52310 0.32595 1.00000
获取直接链接