ScV(FeH4)2
Alexandria ALEXAlex-ID: agm007421402 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_368_spg2
ScFeH5 VH2 FeH
2024-03-06 00:12:02.385938
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007421402).
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 agm007421402
data_agm007421402
_cell_length_a 4.07740
_cell_length_b 4.25828
_cell_length_c 5.09425
_cell_angle_alpha 84.21739
_cell_angle_beta 82.87258
_cell_angle_gamma 87.91838
_cell_volume 87.29433
_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
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.52678 0.05277 0.74052 1.00000
Fe2 Fe 0.47322 0.94723 0.25948 1.00000
H1 H 0.75167 0.68054 0.18922 1.00000
H2 H 0.28879 0.69132 0.12455 1.00000
H3 H 0.17283 0.20255 0.23948 1.00000
H4 H 0.24833 0.31946 0.81078 1.00000
H5 H 0.71121 0.30868 0.87545 1.00000
H6 H 0.82717 0.79745 0.76052 1.00000
H7 H 0.58602 0.23139 0.43863 1.00000
H8 H 0.41398 0.76861 0.56137 1.00000
获取直接链接