Ba2Cu3Ge5
Alexandria ALEXAlex-ID: agm003345596 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_104_spg72
Ba4Cu3Ge20 BaGe2 Cu
2022-01-30 11:38:51.143064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345596).
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 agm003345596
data_agm003345596
_cell_length_a 6.32773
_cell_length_b 8.81806
_cell_length_c 8.81806
_cell_angle_alpha 73.07323
_cell_angle_beta 68.97386
_cell_angle_gamma 68.97386
_cell_volume 421.17801
_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
Ba1 Ba 0.12548 0.62306 0.12598 1.00000
Ba2 Ba 0.62548 0.12598 0.62306 1.00000
Ba3 Ba 0.87452 0.37694 0.87402 1.00000
Ba4 Ba 0.37452 0.87402 0.37694 1.00000
Cu1 Cu 0.37298 0.50679 0.74726 1.00000
Cu2 Cu 0.87298 0.74726 0.50679 1.00000
Cu3 Cu 0.62702 0.49321 0.25274 1.00000
Cu4 Cu 0.12702 0.25274 0.49321 1.00000
Cu5 Cu 0.25000 0.00000 0.00000 1.00000
Cu6 Cu 0.75000 0.00000 0.00000 1.00000
Ge1 Ge 0.38253 0.24883 0.98612 1.00000
Ge2 Ge 0.88253 0.98612 0.24883 1.00000
Ge3 Ge 0.61747 0.75117 0.01388 1.00000
Ge4 Ge 0.11747 0.01388 0.75117 1.00000
Ge5 Ge 0.49906 0.75094 0.75094 1.00000
Ge6 Ge 0.50094 0.24906 0.24906 1.00000
Ge7 Ge 0.75000 0.50000 0.50000 1.00000
Ge8 Ge 0.25000 0.50000 0.50000 1.00000
Ge9 Ge 0.00094 0.24906 0.24906 1.00000
Ge10 Ge 0.99906 0.75094 0.75094 1.00000
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