V2H6IrRu
Alexandria ALEXAlex-ID: agm007189243 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_231_spg2
VH4Ru3 VH2 VIr3 H2
2025-05-27 05:17:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007189243).
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
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# CIF generated by HEAS from Alexandria entry agm007189243
data_agm007189243
_cell_length_a 4.17019
_cell_length_b 4.17113
_cell_length_c 5.10524
_cell_angle_alpha 113.41744
_cell_angle_beta 113.55166
_cell_angle_gamma 91.38801
_cell_volume 72.91058
_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 0.22226 0.72048 0.45407 1.00000
V2 V 0.73258 0.23148 0.45409 1.00000
H1 H 0.61583 0.11871 0.73532 1.00000
H2 H 0.20262 0.30381 0.50723 1.00000
H3 H 0.34735 0.84495 0.19296 1.00000
H4 H 0.83910 0.84094 0.17606 1.00000
H5 H 0.79710 0.69226 0.48997 1.00000
H6 H 0.33493 0.33659 0.17583 1.00000
Ir1 Ir 0.96532 0.93855 0.90415 1.00000
Ru1 Ru 0.44394 0.46828 0.91239 1.00000
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