TbTmAs2
Alexandria ALEXAlex-ID: agm005666905 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_56_spg141
Tb3TmAs4 TbTm3As4
2023-07-11 19:06:09.194095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666905).
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 agm005666905
data_agm005666905
_cell_length_a 5.79746
_cell_length_b 5.79746
_cell_length_c 7.10260
_cell_angle_alpha 114.08694
_cell_angle_beta 114.08694
_cell_angle_gamma 89.99999
_cell_volume 194.94560
_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 0.75000 0.25000 0.50000 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.25000 0.75000 0.50000 1.00000
As1 As 0.74807 0.74807 0.49613 1.00000
As2 As 0.49807 0.99807 0.99613 1.00000
As3 As 0.25193 0.25193 0.50387 1.00000
As4 As 0.00193 0.50193 0.00387 1.00000
