PmTm4Zn5
Alexandria ALEXAlex-ID: agm003645751 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_22_spg123
TmZn PmZn
2022-04-08 09:30:12.875404
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003645751).
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 agm003645751
data_agm003645751
_cell_length_a 3.54173
_cell_length_b 3.54173
_cell_length_c 17.81779
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 223.50412
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.20469 1.00000
Tm2 Tm 0.00000 0.00000 0.40186 1.00000
Tm3 Tm 0.00000 0.00000 0.59814 1.00000
Tm4 Tm 0.00000 0.00000 0.79531 1.00000
Zn1 Zn 0.50000 0.50000 0.10983 1.00000
Zn2 Zn 0.50000 0.50000 0.30271 1.00000
Zn3 Zn 0.50000 0.50000 0.50000 1.00000
Zn4 Zn 0.50000 0.50000 0.69729 1.00000
Zn5 Zn 0.50000 0.50000 0.89017 1.00000
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