V(H4Rh)2
Alexandria ALEXAlex-ID: agm081353091 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_22_spg97
VH2 H8Rh3 H2
2025-05-27 08:57:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081353091).
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 agm081353091
data_agm081353091
_cell_length_a 5.03297
_cell_length_b 5.03134
_cell_length_c 4.22764
_cell_angle_alpha 65.15250
_cell_angle_beta 65.10515
_cell_angle_gamma 49.57849
_cell_volume 72.22698
_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
V1 V 0.00000 0.99999 0.00000 1.00000
H1 H 0.61168 0.14746 0.38655 1.00000
H2 H 0.38733 0.85268 0.14659 1.00000
H3 H 0.14714 0.61232 0.85360 1.00000
H4 H 0.85234 0.38798 0.61386 1.00000
H5 H 0.61267 0.14732 0.85341 1.00000
H6 H 0.38832 0.85254 0.61345 1.00000
H7 H 0.85286 0.38768 0.14640 1.00000
H8 H 0.14766 0.61202 0.38615 1.00000
Rh1 Rh 0.24922 0.24927 0.25062 1.00000
Rh2 Rh 0.75078 0.75073 0.74938 1.00000
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