Co4Cu3(RhSe6)2
Alexandria ALEXAlex-ID: agm009452425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D12_47_spg12
Co2CuSe4 Cu(RhSe2)2
2024-11-07 06:01:40.497378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009452425).
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 agm009452425
data_agm009452425
_cell_length_a 7.16068
_cell_length_b 7.16068
_cell_length_c 17.73397
_cell_angle_alpha 89.93823
_cell_angle_beta 89.93823
_cell_angle_gamma 59.85514
_cell_volume 786.33700
_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
Co1 Co 0.16646 0.16646 0.66532 1.00000
Co2 Co 0.83354 0.83354 0.33468 1.00000
Co3 Co 0.50000 0.00000 0.00000 1.00000
Co4 Co 0.16660 0.66651 0.66559 1.00000
Co5 Co 0.83340 0.33349 0.33441 1.00000
Co6 Co 0.00000 0.50000 0.00000 1.00000
Co7 Co 0.66651 0.16660 0.66559 1.00000
Co8 Co 0.33349 0.83340 0.33441 1.00000
Cu1 Cu 0.33298 0.33298 0.45906 1.00000
Cu2 Cu 0.99943 0.99943 0.12775 1.00000
Cu3 Cu 0.66624 0.66624 0.79084 1.00000
Cu4 Cu 0.33376 0.33376 0.20916 1.00000
Cu5 Cu 0.00057 0.00057 0.87225 1.00000
Cu6 Cu 0.66702 0.66702 0.54094 1.00000
Rh1 Rh 0.66867 0.66867 0.16859 1.00000
Rh2 Rh 0.33133 0.33133 0.83141 1.00000
Rh3 Rh 0.00000 0.00000 0.50000 1.00000
Rh4 Rh 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.15292 0.15292 0.40952 1.00000
Se2 Se 0.82022 0.82022 0.07619 1.00000
Se3 Se 0.48540 0.48540 0.74166 1.00000
Se4 Se 0.99975 0.99975 0.26470 1.00000
Se5 Se 0.67218 0.67218 0.92752 1.00000
Se6 Se 0.33323 0.33323 0.59584 1.00000
Se7 Se 0.69386 0.15348 0.40956 1.00000
Se8 Se 0.35964 0.82953 0.07926 1.00000
Se9 Se 0.02687 0.48588 0.74057 1.00000
Se10 Se 0.15348 0.69386 0.40956 1.00000
Se11 Se 0.82953 0.35964 0.07926 1.00000
Se12 Se 0.48588 0.02687 0.74057 1.00000
Se13 Se 0.51460 0.51460 0.25834 1.00000
Se14 Se 0.17978 0.17978 0.92381 1.00000
Se15 Se 0.84708 0.84708 0.59048 1.00000
Se16 Se 0.66677 0.66677 0.40416 1.00000
Se17 Se 0.32782 0.32782 0.07248 1.00000
Se18 Se 0.00025 0.00025 0.73530 1.00000
Se19 Se 0.97313 0.51412 0.25943 1.00000
Se20 Se 0.64036 0.17047 0.92074 1.00000
Se21 Se 0.30614 0.84652 0.59044 1.00000
Se22 Se 0.51412 0.97313 0.25943 1.00000
Se23 Se 0.17047 0.64036 0.92074 1.00000
Se24 Se 0.84652 0.30614 0.59044 1.00000
