Mn2Cr5H4
Alexandria ALEXAlex-ID: agm007270945 · 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
A2B4C5_783_spg2
MnCr15 MnCrH2 CrH
2025-05-26 22:09:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007270945).
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 agm007270945
data_agm007270945
_cell_length_a 5.48244
_cell_length_b 5.48244
_cell_length_c 6.51727
_cell_angle_alpha 77.26826
_cell_angle_beta 102.73174
_cell_angle_gamma 149.49325
_cell_volume 96.81249
_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 0.19734 0.80266 0.14597 1.00000
Mn2 Mn 0.80266 0.19734 0.85403 1.00000
Cr1 Cr 0.94830 0.05170 0.27478 1.00000
Cr2 Cr 0.05170 0.94830 0.72522 1.00000
Cr3 Cr 0.62187 0.37813 0.44669 1.00000
Cr4 Cr 0.50000 0.50000 0.00000 1.00000
Cr5 Cr 0.37813 0.62187 0.55331 1.00000
H1 H 0.21228 0.78772 0.41519 1.00000
H2 H 0.78687 0.21313 0.11932 1.00000
H3 H 0.78772 0.21228 0.58481 1.00000
H4 H 0.21313 0.78687 0.88068 1.00000
获取直接链接