Nb2VH8
Alexandria ALEXAlex-ID: agm006689286 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_473_spg12
NbH2 VH2 H2
2025-05-27 08:56:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006689286).
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
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# CIF generated by HEAS from Alexandria entry agm006689286
data_agm006689286
_cell_length_a 4.34200
_cell_length_b 4.19935
_cell_length_c 5.22712
_cell_angle_alpha 90.01085
_cell_angle_beta 114.51440
_cell_angle_gamma 90.00630
_cell_volume 86.71765
_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
Nb1 Nb 0.61702 0.40907 0.32708 1.00000
Nb2 Nb 0.32914 0.40907 0.75240 1.00000
V1 V 0.11428 0.90918 0.32320 1.00000
H1 H 0.97734 0.69782 0.56651 1.00000
H2 H 0.73666 0.66561 0.07437 1.00000
H3 H 0.49456 0.12048 0.56605 1.00000
H4 H 0.97717 0.12035 0.56647 1.00000
H5 H 0.73631 0.15205 0.07436 1.00000
H6 H 0.49442 0.69772 0.56604 1.00000
H7 H 0.24479 0.66596 0.07486 1.00000
H8 H 0.24439 0.15236 0.07474 1.00000
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