Be3Ru2
Alexandria ALEXAlex-ID: agm005280119 · Space group: Ia-3 (#206)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_747_spg1
Be3Ru2
2024-10-03 22:42:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280119).
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 agm005280119
data_agm005280119
_cell_length_a 8.32653
_cell_length_b 8.32653
_cell_length_c 8.32653
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 444.39690
_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 0.61055 0.74709 0.55890 1.00000
Be2 Be 0.38945 0.25291 0.44110 1.00000
Be3 Be 0.88945 0.94835 0.63655 1.00000
Be4 Be 0.31181 0.75291 0.86345 1.00000
Be5 Be 0.74709 0.55890 0.61055 1.00000
Be6 Be 0.11055 0.05165 0.36345 1.00000
Be7 Be 0.68819 0.24709 0.13655 1.00000
Be8 Be 0.25291 0.44110 0.38945 1.00000
Be9 Be 0.18819 0.55165 0.94110 1.00000
Be10 Be 0.94835 0.63655 0.88945 1.00000
Be11 Be 0.81181 0.44835 0.05890 1.00000
Be12 Be 0.05165 0.36345 0.11055 1.00000
Be13 Be 0.75291 0.86345 0.31181 1.00000
Be14 Be 0.24709 0.13655 0.68819 1.00000
Be15 Be 0.55165 0.94110 0.18819 1.00000
Be16 Be 0.44835 0.05890 0.81181 1.00000
Be17 Be 0.55890 0.61055 0.74709 1.00000
Be18 Be 0.44110 0.38945 0.25291 1.00000
Be19 Be 0.86345 0.31181 0.75291 1.00000
Be20 Be 0.13655 0.68819 0.24709 1.00000
Be21 Be 0.94110 0.18819 0.55165 1.00000
Be22 Be 0.05890 0.81181 0.44835 1.00000
Be23 Be 0.63655 0.88945 0.94835 1.00000
Be24 Be 0.36345 0.11055 0.05165 1.00000
Ru1 Ru 0.61699 0.36699 0.75000 1.00000
Ru2 Ru 0.38301 0.63301 0.25000 1.00000
Ru3 Ru 0.88301 0.13301 0.25000 1.00000
Ru4 Ru 0.36699 0.75000 0.61699 1.00000
Ru5 Ru 0.11699 0.86699 0.75000 1.00000
Ru6 Ru 0.63301 0.25000 0.38301 1.00000
Ru7 Ru 0.13301 0.25000 0.88301 1.00000
Ru8 Ru 0.86699 0.75000 0.11699 1.00000
Ru9 Ru 0.75000 0.61699 0.36699 1.00000
Ru10 Ru 0.25000 0.38301 0.63301 1.00000
Ru11 Ru 0.25000 0.88301 0.13301 1.00000
Ru12 Ru 0.75000 0.11699 0.86699 1.00000
Ru13 Ru 0.00000 0.00000 0.00000 1.00000
Ru14 Ru 0.50000 0.00000 0.50000 1.00000
Ru15 Ru 0.50000 0.50000 0.00000 1.00000
Ru16 Ru 0.00000 0.50000 0.50000 1.00000
