PmMn(CoH4)2
Alexandria ALEXAlex-ID: agm007239050 · 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
ABC2D8_193_spg2
MnH2 PmCoH6 MnCo3H4 PmCoH5
2024-03-26 08:55:29.061550
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007239050).
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 agm007239050
data_agm007239050
_cell_length_a 4.29613
_cell_length_b 4.47768
_cell_length_c 5.92684
_cell_angle_alpha 111.86187
_cell_angle_beta 90.00416
_cell_angle_gamma 118.66832
_cell_volume 90.57874
_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
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.29174 0.58357 0.88401 1.00000
Co2 Co 0.70826 0.41643 0.11599 1.00000
H1 H 0.63376 0.75315 0.12499 1.00000
H2 H 0.43672 0.36647 0.29686 1.00000
H3 H 0.11945 0.75318 0.12499 1.00000
H4 H 0.36624 0.24685 0.87501 1.00000
H5 H 0.56328 0.63353 0.70314 1.00000
H6 H 0.88055 0.24682 0.87501 1.00000
H7 H 0.07007 0.63388 0.70335 1.00000
H8 H 0.92993 0.36612 0.29665 1.00000
获取直接链接