Ba2In(GaSb2)2
Alexandria ALEXAlex-ID: agm004560435 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_207_spg12
Ba2Sb3 Ba5(In2Sb3)2 Ba(GaSb)2 GaSb
2022-06-19 13:40:34.770661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004560435).
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 agm004560435
data_agm004560435
_cell_length_a 5.04906
_cell_length_b 9.02178
_cell_length_c 7.17099
_cell_angle_alpha 111.90856
_cell_angle_beta 90.00000
_cell_angle_gamma 106.24983
_cell_volume 288.94606
_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 0.86134 0.72268 0.40928 1.00000
Ba2 Ba 0.13866 0.27732 0.59072 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.33231 0.66463 0.02119 1.00000
Ga2 Ga 0.66769 0.33537 0.97881 1.00000
Sb1 Sb 0.79932 0.59863 0.83257 1.00000
Sb2 Sb 0.20068 0.40137 0.16743 1.00000
Sb3 Sb 0.49919 0.99839 0.28218 1.00000
Sb4 Sb 0.50081 0.00161 0.71782 1.00000
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