Ru2Se
Alexandria ALEXAlex-ID: agm005508874 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2191_spg141
RuSe2 Ru
2023-05-01 03:39:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508874).
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 agm005508874
data_agm005508874
_cell_length_a 11.69745
_cell_length_b 11.69745
_cell_length_c 11.69745
_cell_angle_alpha 160.17433
_cell_angle_beta 160.17433
_cell_angle_gamma 28.18125
_cell_volume 184.02558
_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
Ru1 Ru 0.76315 0.76315 1.00000 1.00000
Ru2 Ru 0.23685 0.23685 0.00000 1.00000
Ru3 Ru 0.01315 0.51315 0.50000 1.00000
Ru4 Ru 0.48685 0.98685 0.50000 1.00000
Ru5 Ru 0.59175 0.59175 1.00000 1.00000
Ru6 Ru 0.40825 0.40825 0.00000 1.00000
Ru7 Ru 0.84175 0.34175 0.50000 1.00000
Ru8 Ru 0.65825 0.15825 0.50000 1.00000
Se1 Se 0.92748 0.92748 0.00000 1.00000
Se2 Se 0.07252 0.07252 1.00000 1.00000
Se3 Se 0.17748 0.67748 0.50000 1.00000
Se4 Se 0.32252 0.82252 0.50000 1.00000
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