TaH6Pt
Alexandria ALEXAlex-ID: agm076150656 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1176_spg2
TaH5 TaPt2 H2
2025-06-26 23:16:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076150656).
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 agm076150656
data_agm076150656
_cell_length_a 3.05263
_cell_length_b 3.76337
_cell_length_c 6.48294
_cell_angle_alpha 118.51047
_cell_angle_beta 103.44373
_cell_angle_gamma 90.28874
_cell_volume 63.06295
_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
Ta1 Ta 0.65185 0.66649 0.52363 1.00000
H1 H 0.84515 0.86444 0.90970 1.00000
H2 H 0.50020 0.11353 0.22184 1.00000
H3 H 0.49103 0.61155 0.19705 1.00000
H4 H 0.10184 0.32560 0.42533 1.00000
H5 H 0.09515 0.80862 0.40413 1.00000
H6 H 0.69804 0.24618 0.61742 1.00000
Pt1 Pt 0.36662 0.11357 0.95085 1.00000
获取直接链接