MnH6Br
Alexandria ALEXAlex-ID: agm079279953 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_282_spg12
MnH2 Mn(HBr)2 H2
2025-06-26 22:02:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079279953).
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 agm079279953
data_agm079279953
_cell_length_a 4.50601
_cell_length_b 5.98864
_cell_length_c 5.96765
_cell_angle_alpha 86.94405
_cell_angle_beta 68.04335
_cell_angle_gamma 67.62856
_cell_volume 137.36901
_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
Mn1 Mn 0.55515 0.44492 0.44471 1.00000
H1 H 0.63407 0.13842 0.59815 1.00000
H2 H 0.32770 0.72518 0.61835 1.00000
H3 H 0.52766 0.23692 0.71248 1.00000
H4 H 0.52253 0.71279 0.23731 1.00000
H5 H 0.32910 0.61785 0.72534 1.00000
H6 H 0.62880 0.59862 0.13863 1.00000
Br1 Br 0.22499 0.27529 0.27502 1.00000
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