In4Ga2Bi3
Alexandria ALEXAlex-ID: agm005658937 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_899_spg2
In Ga Bi
2023-06-30 21:32:07.304558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658937).
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 agm005658937
data_agm005658937
_cell_length_a 5.45237
_cell_length_b 9.09506
_cell_length_c 8.62803
_cell_angle_alpha 49.59501
_cell_angle_beta 70.29862
_cell_angle_gamma 51.85672
_cell_volume 254.80638
_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
In1 In 0.77835 0.78333 0.89329 1.00000
In2 In 0.90089 0.86535 0.46026 1.00000
In3 In 0.09911 0.13465 0.53974 1.00000
In4 In 0.22165 0.21667 0.10671 1.00000
Ga1 Ga 0.33461 0.32524 0.69201 1.00000
Ga2 Ga 0.66539 0.67476 0.30799 1.00000
Bi1 Bi 0.44024 0.42457 0.27536 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.55976 0.57543 0.72464 1.00000
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