Tm3AlOs
Alexandria ALEXAlex-ID: agm005803138 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6628_spg12
Tm2Al3Os Tm2Al Tm3Os
2023-07-02 19:54:21.604438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803138).
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 agm005803138
data_agm005803138
_cell_length_a 5.63751
_cell_length_b 5.63751
_cell_length_c 8.53278
_cell_angle_alpha 102.20699
_cell_angle_beta 102.20314
_cell_angle_gamma 111.10187
_cell_volume 234.66623
_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 0.30203 0.80204 0.10407 1.00000
Tm2 Tm 0.69797 0.19796 0.89593 1.00000
Tm3 Tm 0.08089 0.20485 0.28574 1.00000
Tm4 Tm 0.91911 0.79515 0.71426 1.00000
Tm5 Tm 0.70482 0.58095 0.28578 1.00000
Tm6 Tm 0.29518 0.41905 0.71422 1.00000
Al1 Al 0.69726 0.19726 0.50000 1.00000
Al2 Al 0.30274 0.80274 0.50000 1.00000
Os1 Os 0.25001 0.25001 0.00000 1.00000
Os2 Os 0.74999 0.74999 0.00000 1.00000
获取直接链接