VAs(H3Ru)2
Alexandria ALEXAlex-ID: agm007705605 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_423_spg15
AsH9 VH4Ru3 VH2 As2Ru
2025-04-29 18:06:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007705605).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007705605
data_agm007705605
_cell_length_a 4.48379
_cell_length_b 6.11691
_cell_length_c 6.11724
_cell_angle_alpha 95.39790
_cell_angle_beta 100.06791
_cell_angle_gamma 100.06944
_cell_volume 161.29919
_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 0.75002 0.13726 0.86277 1.00000
V2 V 0.24998 0.86274 0.13724 1.00000
As1 As 0.75002 0.72748 0.27249 1.00000
As2 As 0.24998 0.27253 0.72751 1.00000
H1 H 0.86240 0.44775 0.86762 1.00000
H2 H 0.63762 0.13220 0.55227 1.00000
H3 H 0.13761 0.55225 0.13238 1.00000
H4 H 0.36238 0.86780 0.44773 1.00000
H5 H 0.93497 0.87442 0.87781 1.00000
H6 H 0.56504 0.12218 0.12559 1.00000
H7 H 0.06504 0.12558 0.12219 1.00000
H8 H 0.43496 0.87781 0.87442 1.00000
H9 H 0.82145 0.61803 0.63097 1.00000
H10 H 0.67840 0.36894 0.38204 1.00000
H11 H 0.17853 0.38197 0.36903 1.00000
H12 H 0.32161 0.63106 0.61796 1.00000
Ru1 Ru 0.12296 0.85016 0.63129 1.00000
Ru2 Ru 0.37705 0.36873 0.14988 1.00000
Ru3 Ru 0.87705 0.14984 0.36871 1.00000
Ru4 Ru 0.62294 0.63128 0.85012 1.00000
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