Tm3MgCd4
Alexandria ALEXAlex-ID: agm016861402 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
Tm3MgCd4
2025-01-21 04:03:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016861402).
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 agm016861402
data_agm016861402
_cell_length_a 5.10025
_cell_length_b 5.10025
_cell_length_c 8.22970
_cell_angle_alpha 71.89689
_cell_angle_beta 108.10311
_cell_angle_gamma 90.10180
_cell_volume 192.33879
_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 0.00000 0.00000 0.50000 1.00000
Tm2 Tm 0.74342 0.25658 0.98688 1.00000
Tm3 Tm 0.25658 0.74342 0.01312 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.38058 0.11991 0.26056 1.00000
Cd2 Cd 0.61942 0.88009 0.73944 1.00000
Cd3 Cd 0.11991 0.38058 0.73944 1.00000
Cd4 Cd 0.88009 0.61942 0.26056 1.00000
