Be(VH3)2
Alexandria ALEXAlex-ID: agm071200518 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_5860_spg212
VH2 BeH2
2024-08-06 21:11:14.147915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071200518).
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 agm071200518
data_agm071200518
_cell_length_a 6.24806
_cell_length_b 6.24806
_cell_length_c 6.24806
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 243.91317
_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
Be1 Be 0.12500 0.12500 0.12500 1.00000
Be2 Be 0.37500 0.87500 0.62500 1.00000
Be3 Be 0.87500 0.62500 0.37500 1.00000
Be4 Be 0.62500 0.37500 0.87500 1.00000
V1 V 0.72930 0.72930 0.72930 1.00000
V2 V 0.77070 0.27070 0.22930 1.00000
V3 V 0.27070 0.22930 0.77070 1.00000
V4 V 0.22930 0.77070 0.27070 1.00000
V5 V 0.97930 0.47930 0.02070 1.00000
V6 V 0.52070 0.52070 0.52070 1.00000
V7 V 0.47930 0.02070 0.97930 1.00000
V8 V 0.02070 0.97930 0.47930 1.00000
H1 H 0.62180 0.99678 0.72653 1.00000
H2 H 0.87820 0.00322 0.22653 1.00000
H3 H 0.37820 0.49678 0.77347 1.00000
H4 H 0.12180 0.50322 0.27347 1.00000
H5 H 0.72653 0.62180 0.99678 1.00000
H6 H 0.22653 0.87820 0.00322 1.00000
H7 H 0.77347 0.37820 0.49678 1.00000
H8 H 0.27347 0.12180 0.50322 1.00000
H9 H 0.99678 0.72653 0.62180 1.00000
H10 H 0.00322 0.22653 0.87820 1.00000
H11 H 0.49678 0.77347 0.37820 1.00000
H12 H 0.50322 0.27347 0.12180 1.00000
H13 H 0.24678 0.37180 0.02347 1.00000
H14 H 0.25322 0.62820 0.52347 1.00000
H15 H 0.74678 0.12820 0.97653 1.00000
H16 H 0.75322 0.87180 0.47653 1.00000
H17 H 0.87180 0.47653 0.75322 1.00000
H18 H 0.12820 0.97653 0.74678 1.00000
H19 H 0.62820 0.52347 0.25322 1.00000
H20 H 0.37180 0.02347 0.24678 1.00000
H21 H 0.97653 0.74678 0.12820 1.00000
H22 H 0.47653 0.75322 0.87180 1.00000
H23 H 0.02347 0.24678 0.37180 1.00000
H24 H 0.52347 0.25322 0.62820 1.00000
