Tm3(Al2Cu)2
Alexandria ALEXAlex-ID: agm005606899 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_33_spg2
TmAlCu TmAl2
2023-06-26 17:15:13.888766
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606899).
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
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# CIF generated by HEAS from Alexandria entry agm005606899
data_agm005606899
_cell_length_a 4.42893
_cell_length_b 5.64622
_cell_length_c 8.39480
_cell_angle_alpha 111.78379
_cell_angle_beta 90.00000
_cell_angle_gamma 113.09167
_cell_volume 176.69499
_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 0.67545 0.35090 0.65071 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.32455 0.64910 0.34929 1.00000
Al1 Al 0.72978 0.45956 0.07360 1.00000
Al2 Al 0.27022 0.54044 0.92640 1.00000
Al3 Al 0.96981 0.93962 0.63752 1.00000
Al4 Al 0.03019 0.06038 0.36248 1.00000
Cu1 Cu 0.59365 0.18731 0.26495 1.00000
Cu2 Cu 0.40635 0.81269 0.73505 1.00000
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