GaH8Ru2Se
Alexandria ALEXAlex-ID: agm007606145 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2089_spg2
H8Ru3 GaH3Ru H2 RuSe2
2024-03-10 19:57:43.415115
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606145).
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 agm007606145
data_agm007606145
_cell_length_a 4.35791
_cell_length_b 7.17892
_cell_length_c 5.34927
_cell_angle_alpha 61.24850
_cell_angle_beta 86.99912
_cell_angle_gamma 54.25097
_cell_volume 112.75866
_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
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
H1 H 0.42764 0.86097 0.73141 1.00000
H2 H 0.75242 0.53997 0.91829 1.00000
H3 H 0.57236 0.13903 0.26859 1.00000
H4 H 0.43817 0.08433 0.77304 1.00000
H5 H 0.56183 0.91567 0.22696 1.00000
H6 H 0.88231 0.84433 0.73635 1.00000
H7 H 0.11769 0.15567 0.26365 1.00000
H8 H 0.24758 0.46003 0.08171 1.00000
Ru1 Ru 0.74112 0.74221 0.01505 1.00000
Ru2 Ru 0.25888 0.25779 0.98495 1.00000
Se1 Se 0.50000 0.50000 0.50000 1.00000
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