Al2VH6Rh
Alexandria ALEXAlex-ID: agm007965640 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_433_spg15
AlH9 AlH3 VH2 AlRh
2024-02-08 22:48:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007965640).
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 agm007965640
data_agm007965640
_cell_length_a 6.31472
_cell_length_b 6.31472
_cell_length_c 4.99314
_cell_angle_alpha 67.53218
_cell_angle_beta 67.53218
_cell_angle_gamma 78.70070
_cell_volume 169.73535
_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
Al1 Al 0.93629 0.55791 0.24805 1.00000
Al2 Al 0.44209 0.06371 0.25195 1.00000
Al3 Al 0.06371 0.44209 0.75195 1.00000
Al4 Al 0.55791 0.93629 0.74805 1.00000
V1 V 0.07169 0.92831 0.75000 1.00000
V2 V 0.92831 0.07169 0.25000 1.00000
H1 H 0.67504 0.24709 0.45240 1.00000
H2 H 0.75291 0.32496 0.04760 1.00000
H3 H 0.32496 0.75291 0.54760 1.00000
H4 H 0.24709 0.67504 0.95240 1.00000
H5 H 0.87380 0.84699 0.61963 1.00000
H6 H 0.15301 0.12620 0.88037 1.00000
H7 H 0.12620 0.15301 0.38037 1.00000
H8 H 0.84699 0.87380 0.11963 1.00000
H9 H 0.56679 0.67014 0.09249 1.00000
H10 H 0.32986 0.43321 0.40751 1.00000
H11 H 0.43321 0.32986 0.90751 1.00000
H12 H 0.67014 0.56679 0.59249 1.00000
Rh1 Rh 0.71643 0.28357 0.75000 1.00000
Rh2 Rh 0.28357 0.71643 0.25000 1.00000
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