Ba2Sb7Au12
Alexandria ALEXAlex-ID: agm005674313 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_35_spg2
SbAu Ba(SbAu)2 Au
2023-06-21 10:33:05.184827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674313).
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 agm005674313
data_agm005674313
_cell_length_a 4.97813
_cell_length_b 10.96419
_cell_length_c 10.99186
_cell_angle_alpha 119.99815
_cell_angle_beta 85.63551
_cell_angle_gamma 96.69788
_cell_volume 515.92375
_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 0.25522 0.32871 0.68312 1.00000
Ba2 Ba 0.74478 0.67129 0.31688 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.33034 0.89534 0.26183 1.00000
Sb3 Sb 0.20738 0.34765 0.06435 1.00000
Sb4 Sb 0.24612 0.71612 0.58511 1.00000
Sb5 Sb 0.66966 0.10466 0.73817 1.00000
Sb6 Sb 0.79262 0.65235 0.93565 1.00000
Sb7 Sb 0.75388 0.28388 0.41489 1.00000
Au1 Au 0.26157 0.59862 0.05273 1.00000
Au2 Au 0.17677 0.45839 0.35410 1.00000
Au3 Au 0.21806 0.94188 0.53096 1.00000
Au4 Au 0.73843 0.40138 0.94727 1.00000
Au5 Au 0.82323 0.54161 0.64590 1.00000
Au6 Au 0.78194 0.05812 0.46904 1.00000
Au7 Au 0.24745 0.16902 0.29241 1.00000
Au8 Au 0.13250 0.06901 0.84861 1.00000
Au9 Au 0.32165 0.69758 0.83055 1.00000
Au10 Au 0.75255 0.83098 0.70759 1.00000
Au11 Au 0.86750 0.93099 0.15139 1.00000
Au12 Au 0.67835 0.30242 0.16945 1.00000
