Tm5ZnH2
Alexandria ALEXAlex-ID: agm007276709 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_679_spg1
Tm2Zn Tm TmH2
2024-03-26 02:27:06.015462
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007276709).
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 agm007276709
data_agm007276709
_cell_length_a 7.61919
_cell_length_b 7.61919
_cell_length_c 4.73693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.69565
_cell_volume 162.81359
_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 0.66448 0.33552 0.50000 1.00000
Tm2 Tm 0.33552 0.66448 0.50000 1.00000
Tm3 Tm 0.16343 0.83657 0.00000 1.00000
Tm4 Tm 0.83657 0.16343 0.00000 1.00000
Tm5 Tm 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
H1 H 0.15799 0.84201 0.50000 1.00000
H2 H 0.84201 0.15799 0.50000 1.00000
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