Ba2GeSbAu6
Alexandria ALEXAlex-ID: agm004921985 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
BaAu5 BaGe2Au5 BaSbAu
2022-07-23 11:01:37.484454
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921985).
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 agm004921985
data_agm004921985
_cell_length_a 7.26738
_cell_length_b 7.48317
_cell_length_c 7.47393
_cell_angle_alpha 45.85910
_cell_angle_beta 77.69563
_cell_angle_gamma 95.66125
_cell_volume 266.70556
_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 0.72081 0.25683 0.53502 1.00000
Ba2 Ba 0.27920 0.74317 0.46498 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 1.00000 1.00000 0.00000 1.00000
Au1 Au 0.26161 0.24714 0.48634 1.00000
Au2 Au 0.89253 0.74837 0.85308 1.00000
Au3 Au 0.25947 0.74566 0.98587 1.00000
Au4 Au 0.74053 0.25434 0.01414 1.00000
Au5 Au 0.10747 0.25163 0.14692 1.00000
Au6 Au 0.73839 0.75286 0.51366 1.00000
Get direct link