Cu2GeSe3
Alexandria ALEXAlex-ID: agm003201995 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_174_spg44
Cu5Ge2Se7 GeSe
2021-12-03 00:28:30.691846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003201995).
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 agm003201995
data_agm003201995
_cell_length_a 6.86512
_cell_length_b 6.86512
_cell_length_c 6.86512
_cell_angle_alpha 145.74988
_cell_angle_beta 131.96825
_cell_angle_gamma 60.30999
_cell_volume 134.11039
_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
Cu1 Cu 0.09488 0.83234 0.26255 1.00000
Cu2 Cu 0.43021 0.16766 0.26255 1.00000
Ge1 Ge 0.73347 0.50000 0.23347 1.00000
Se1 Se 0.66790 0.67069 0.99721 1.00000
Se2 Se 0.32653 0.32931 0.99721 1.00000
Se3 Se 0.00902 0.00000 0.00902 1.00000
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