SbAuI
Alexandria ALEXAlex-ID: agm005690445 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_464_spg59
SbAu Au SbI3
2023-06-20 15:36:18.588824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690445).
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 agm005690445
data_agm005690445
_cell_length_a 4.01718
_cell_length_b 4.60571
_cell_length_c 23.53487
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 435.44113
_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
Sb1 Sb 0.75000 0.74462 0.17331 1.00000
Sb2 Sb 0.25000 0.25538 0.82669 1.00000
Sb3 Sb 0.25000 0.24462 0.32669 1.00000
Sb4 Sb 0.75000 0.75538 0.67331 1.00000
Au1 Au 0.25000 0.75458 0.76260 1.00000
Au2 Au 0.75000 0.24542 0.23740 1.00000
Au3 Au 0.75000 0.25458 0.73740 1.00000
Au4 Au 0.25000 0.74542 0.26260 1.00000
I1 I 0.25000 0.76460 0.57367 1.00000
I2 I 0.75000 0.23540 0.42633 1.00000
I3 I 0.75000 0.26460 0.92633 1.00000
I4 I 0.25000 0.73540 0.07367 1.00000
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