Ga2Tc2H5
Alexandria ALEXAlex-ID: agm007293200 · 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
A2B2C5_345_spg12
Ga2TcH5 Ga4Tc Tc4H3
2024-02-09 01:06:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007293200).
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 agm007293200
data_agm007293200
_cell_length_a 5.23539
_cell_length_b 5.23539
_cell_length_c 6.24281
_cell_angle_alpha 81.47093
_cell_angle_beta 81.47093
_cell_angle_gamma 32.39990
_cell_volume 90.58569
_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
Ga1 Ga 0.85848 0.85848 0.61219 1.00000
Ga2 Ga 0.14152 0.14152 0.38781 1.00000
Tc1 Tc 0.63357 0.63357 0.02329 1.00000
Tc2 Tc 0.36643 0.36643 0.97671 1.00000
H1 H 0.47296 0.47296 0.19478 1.00000
H2 H 0.52704 0.52704 0.80522 1.00000
H3 H 0.79545 0.79545 0.14130 1.00000
H4 H 0.20455 0.20455 0.85870 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
