K3U(CuSe3)2
Alexandria ALEXAlex-ID: agm004635579 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
K2Se5 K2Se3 K3USe4 K2UCu3Se5
2022-06-27 14:45:10.649979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635579).
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 agm004635579
data_agm004635579
_cell_length_a 8.01360
_cell_length_b 8.01360
_cell_length_c 7.84462
_cell_angle_alpha 97.83764
_cell_angle_beta 97.83764
_cell_angle_gamma 133.09112
_cell_volume 345.61734
_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
K1 K 0.18037 0.81963 0.50000 1.00000
K2 K 0.81963 0.18037 0.50000 1.00000
K3 K 0.50000 0.50000 0.50000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.40937 0.59063 0.00000 1.00000
Cu2 Cu 0.59063 0.40937 0.00000 1.00000
Se1 Se 0.86388 0.58554 0.82137 1.00000
Se2 Se 0.78853 0.78853 0.24431 1.00000
Se3 Se 0.13612 0.41446 0.17863 1.00000
Se4 Se 0.58554 0.86388 0.82137 1.00000
Se5 Se 0.21147 0.21147 0.75569 1.00000
Se6 Se 0.41446 0.13612 0.17863 1.00000
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