CuGe2P3
Alexandria ALEXAlex-ID: agm005664094 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2356_spg9
CuGe2P3
2023-08-24 08:05:54.050988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664094).
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 agm005664094
data_agm005664094
_cell_length_a 6.61123
_cell_length_b 6.61123
_cell_length_c 6.62235
_cell_angle_alpha 99.45342
_cell_angle_beta 99.45342
_cell_angle_gamma 120.11631
_cell_volume 236.43406
_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 0.10132 0.93252 0.51223 1.00000
Cu2 Cu 0.93252 0.10132 0.01223 1.00000
Ge1 Ge 0.58014 0.41600 0.00397 1.00000
Ge2 Ge 0.77189 0.26717 0.50542 1.00000
Ge3 Ge 0.41600 0.58014 0.50397 1.00000
Ge4 Ge 0.26717 0.77189 0.00542 1.00000
P1 P 0.04811 0.20339 0.37465 1.00000
P2 P 0.20339 0.04811 0.87465 1.00000
P3 P 0.88833 0.38217 0.88906 1.00000
P4 P 0.38217 0.88833 0.38906 1.00000
P5 P 0.56983 0.73416 0.88594 1.00000
P6 P 0.73416 0.56983 0.38594 1.00000
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