Cu2Ag2B
Alexandria ALEXAlex-ID: agm002959577 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_35_spg127
Cu Ag B
2016-12-02 19:13:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002959577).
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 agm002959577
data_agm002959577
_cell_length_a 5.49676
_cell_length_b 5.49676
_cell_length_c 4.58840
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 138.63578
_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
B1 B 0.00000 0.00000 0.00000 1.00000
B2 B 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.33619 0.83619 0.00000 1.00000
Cu2 Cu 0.83619 0.66381 0.00000 1.00000
Cu3 Cu 0.66381 0.16381 0.00000 1.00000
Cu4 Cu 0.16381 0.33619 0.00000 1.00000
Ag1 Ag 0.17443 0.67443 0.50000 1.00000
Ag2 Ag 0.67443 0.82557 0.50000 1.00000
Ag3 Ag 0.82557 0.32557 0.50000 1.00000
Ag4 Ag 0.32557 0.17443 0.50000 1.00000
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