ScGaBr
Alexandria ALEXAlex-ID: agm002016587 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_5418_spg160
ScGa Sc3Ga5 ScBr3
2021-11-13 04:06:44.669758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002016587).
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 agm002016587
data_agm002016587
_cell_length_a 7.30086
_cell_length_b 3.47919
_cell_length_c 6.03112
_cell_angle_alpha 90.00000
_cell_angle_beta 105.90794
_cell_angle_gamma 90.00000
_cell_volume 147.33003
_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
Sc1 Sc 0.10383 0.00000 0.97624 1.00000
Sc2 Sc 0.10383 0.50000 0.47624 1.00000
Ga1 Ga 0.38881 0.00000 0.40442 1.00000
Ga2 Ga 0.38881 0.50000 0.90442 1.00000
Br1 Br 0.84337 0.00000 0.55665 1.00000
Br2 Br 0.84337 0.50000 0.05665 1.00000
