BeCu2GeTe4
Alexandria ALEXAlex-ID: agm030704540 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_88_spg121
Cu3GeTe4 BeTe GeTe
2025-07-01 16:45:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030704540).
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 agm030704540
data_agm030704540
_cell_length_a 7.24251
_cell_length_b 7.24251
_cell_length_c 7.24251
_cell_angle_alpha 131.29335
_cell_angle_beta 131.29335
_cell_angle_gamma 71.34743
_cell_volume 209.90800
_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
Be1 Be 0.75000 0.25000 0.50000 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.38511 0.89807 0.01710 1.00000
Te2 Te 0.63199 0.61489 0.51296 1.00000
Te3 Te 0.10193 0.11903 0.48704 1.00000
Te4 Te 0.88097 0.36801 0.98290 1.00000
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