Be2H5Ru2
Alexandria ALEXAlex-ID: agm007289995 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1076_spg12
Be2H6Ru Be3Ru2 Ru
2024-02-09 11:31:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007289995).
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 agm007289995
data_agm007289995
_cell_length_a 2.92818
_cell_length_b 5.60956
_cell_length_c 4.56239
_cell_angle_alpha 63.19241
_cell_angle_beta 71.40051
_cell_angle_gamma 74.41524
_cell_volume 62.69933
_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 0.62239 0.80071 0.96626 1.00000
Be2 Be 0.37761 0.19929 0.03374 1.00000
H1 H 0.70434 0.26354 0.31822 1.00000
H2 H 0.29566 0.73646 0.68178 1.00000
H3 H 0.90484 0.45238 0.75424 1.00000
H4 H 0.09516 0.54762 0.24576 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.89023 0.79631 0.42691 1.00000
Ru2 Ru 0.10977 0.20369 0.57309 1.00000
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