BaGe(Te2Au)2
Alexandria ALEXAlex-ID: agm002215313 · Space group: I222 (#23)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_10_spg23
GeTe BaTe TeAu
2018-07-02 20:59:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002215313).
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 agm002215313
data_agm002215313
_cell_length_a 7.16252
_cell_length_b 7.16249
_cell_length_c 7.16220
_cell_angle_alpha 102.50536
_cell_angle_beta 107.65376
_cell_angle_gamma 118.70400
_cell_volume 276.76999
_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
Ge1 Ge 0.99998 0.50000 0.49999 1.00000
Te1 Te 0.97622 0.46561 0.85363 1.00000
Te2 Te 0.02376 0.87738 0.48933 1.00000
Te3 Te 0.38804 0.53444 0.51068 1.00000
Te4 Te 0.61194 0.12253 0.14636 1.00000
Au1 Au 0.50004 0.83117 0.33122 1.00000
Au2 Au 0.49998 0.16885 0.66882 1.00000
Ba1 Ba 0.00002 0.00002 1.00000 1.00000
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