Mn5(VH)2
Alexandria ALEXAlex-ID: agm005567902 · 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
A2B2C5_276_spg12
Mn2H MnV Mn4H3
2023-06-02 19:42:44.292522
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005567902).
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 agm005567902
data_agm005567902
_cell_length_a 3.90499
_cell_length_b 4.68369
_cell_length_c 5.15383
_cell_angle_alpha 88.70871
_cell_angle_beta 89.99993
_cell_angle_gamma 114.63722
_cell_volume 85.65491
_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 0.69936 0.39871 0.16649 1.00000
Mn2 Mn 0.30064 0.60129 0.83351 1.00000
Mn3 Mn 0.86713 0.73427 0.54058 1.00000
Mn4 Mn 0.13287 0.26573 0.45942 1.00000
Mn5 Mn 0.00000 0.00000 0.00000 1.00000
V1 V 0.57885 0.15770 0.72430 1.00000
V2 V 0.42115 0.84230 0.27570 1.00000
H1 H 0.80053 0.60105 0.86503 1.00000
H2 H 0.19947 0.39895 0.13497 1.00000
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