NiRuSe6
Alexandria ALEXAlex-ID: agm003763809 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_266_spg2
RuSe2 Se NiSe2
2022-04-20 05:07:57.842517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003763809).
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 agm003763809
data_agm003763809
_cell_length_a 5.98634
_cell_length_b 6.08405
_cell_length_c 6.56974
_cell_angle_alpha 55.87164
_cell_angle_beta 59.85786
_cell_angle_gamma 60.78972
_cell_volume 164.02105
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.03807 0.45699 0.69594 1.00000
Se2 Se 0.69884 0.05223 0.81810 1.00000
Se3 Se 0.58020 0.20331 0.30333 1.00000
Se4 Se 0.30116 0.94777 0.18190 1.00000
Se5 Se 0.96193 0.54301 0.30406 1.00000
Se6 Se 0.41980 0.79669 0.69667 1.00000
Get direct link