Be2Nb2GaRu5
Alexandria ALEXAlex-ID: agm005134496 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
Be2Nb3Ru5 Be3Ru2 NbGaRu2 Ru
2022-07-14 15:07:04.602009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134496).
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 agm005134496
data_agm005134496
_cell_length_a 3.13580
_cell_length_b 9.28631
_cell_length_c 9.28631
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.41714
_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 0.00000 0.12420 0.62420 1.00000
Be2 Be 0.00000 0.87580 0.37580 1.00000
Be3 Be 0.00000 0.62420 0.87580 1.00000
Be4 Be 0.00000 0.37580 0.12420 1.00000
Nb1 Nb 0.00000 0.67447 0.17447 1.00000
Nb2 Nb 0.00000 0.32553 0.82553 1.00000
Nb3 Nb 0.00000 0.17447 0.32553 1.00000
Nb4 Nb 0.00000 0.82553 0.67447 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.50000 0.20794 0.07251 1.00000
Ru2 Ru 0.50000 0.79206 0.92749 1.00000
Ru3 Ru 0.50000 0.07251 0.79206 1.00000
Ru4 Ru 0.50000 0.70794 0.42749 1.00000
Ru5 Ru 0.50000 0.92749 0.20794 1.00000
Ru6 Ru 0.50000 0.29206 0.57251 1.00000
Ru7 Ru 0.50000 0.57251 0.70794 1.00000
Ru8 Ru 0.50000 0.42749 0.29206 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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