Mn2GaH7
Alexandria ALEXAlex-ID: agm006201035 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_166_spg8
GaH9 MnGa4 MnH2
2023-12-31 00:23:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201035).
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 agm006201035
data_agm006201035
_cell_length_a 4.45797
_cell_length_b 4.46298
_cell_length_c 5.39080
_cell_angle_alpha 125.89081
_cell_angle_beta 52.99072
_cell_angle_gamma 111.20413
_cell_volume 69.37917
_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
H1 H 0.26004 0.66816 0.37456 1.00000
H2 H 0.59250 0.94355 0.84793 1.00000
H3 H 0.55599 0.39598 0.58420 1.00000
H4 H 0.09111 0.06492 0.96461 1.00000
H5 H 0.62971 0.98514 0.53820 1.00000
H6 H 0.24332 0.26458 0.40701 1.00000
H7 H 0.91359 0.54534 0.78203 1.00000
Mn1 Mn 0.34803 0.67983 0.64698 1.00000
Mn2 Mn 0.59476 0.94895 0.17959 1.00000
Ga1 Ga 0.00342 0.56094 0.14304 1.00000
获取直接链接