Mn3V2H3
Alexandria ALEXAlex-ID: agm007255371 · 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
A2B3C3_2780_spg1
MnV Mn4H3 VH2
2025-05-26 23:03:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007255371).
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 agm007255371
data_agm007255371
_cell_length_a 2.59964
_cell_length_b 4.08539
_cell_length_c 12.86815
_cell_angle_alpha 91.48172
_cell_angle_beta 104.11470
_cell_angle_gamma 88.14894
_cell_volume 132.44902
_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 0.32991 0.76020 0.55186 1.00000
Mn2 Mn 0.62678 0.23033 0.25901 1.00000
Mn3 Mn 0.66994 0.21997 0.85189 1.00000
Mn4 Mn 0.27947 0.77205 0.74362 1.00000
Mn5 Mn 0.46176 0.75283 0.15841 1.00000
Mn6 Mn 0.15783 0.74964 0.33280 1.00000
V1 V 0.18117 0.73266 0.94010 1.00000
V2 V 0.83192 0.25452 0.65882 1.00000
V3 V 0.66247 0.24814 0.43810 1.00000
V4 V 0.85476 0.23840 0.06969 1.00000
H1 H 0.87601 0.53488 0.79083 1.00000
H2 H 0.24087 0.24166 0.95592 1.00000
H3 H 0.25886 0.32226 0.54644 1.00000
H4 H 0.04250 0.48375 0.20643 1.00000
H5 H 0.82821 0.74866 0.05551 1.00000
H6 H 0.71754 0.75003 0.44490 1.00000
获取直接链接