TmAlZn2
Alexandria ALEXAlex-ID: agm005680816 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_3002_spg38
Tm3Al3Zn8 TmZn3 TmAl2
2023-07-11 19:19:28.768922
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680816).
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 agm005680816
data_agm005680816
_cell_length_a 4.41238
_cell_length_b 6.46809
_cell_length_c 10.29656
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 293.86021
_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 0.75000 0.24992 0.34412 1.00000
Tm2 Tm 0.25000 0.75008 0.65588 1.00000
Tm3 Tm 0.75000 0.74992 0.15588 1.00000
Tm4 Tm 0.25000 0.25008 0.84412 1.00000
Al1 Al 0.75000 0.25036 0.05129 1.00000
Al2 Al 0.25000 0.74964 0.94871 1.00000
Al3 Al 0.75000 0.75036 0.44871 1.00000
Al4 Al 0.25000 0.24964 0.55129 1.00000
Zn1 Zn 0.25000 0.94608 0.36906 1.00000
Zn2 Zn 0.75000 0.05392 0.63094 1.00000
Zn3 Zn 0.25000 0.44608 0.13094 1.00000
Zn4 Zn 0.75000 0.55392 0.86906 1.00000
Zn5 Zn 0.25000 0.05376 0.13040 1.00000
Zn6 Zn 0.75000 0.94624 0.86960 1.00000
Zn7 Zn 0.25000 0.55376 0.36960 1.00000
Zn8 Zn 0.75000 0.44624 0.63040 1.00000
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