Ga3(SnBi)4
Alexandria ALEXAlex-ID: agm009643263 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_136_spg12
Ga Sn Bi
2024-03-25 19:23:18.612569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009643263).
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 agm009643263
data_agm009643263
_cell_length_a 4.37117
_cell_length_b 4.95714
_cell_length_c 15.01148
_cell_angle_alpha 85.16103
_cell_angle_beta 104.56905
_cell_angle_gamma 93.22870
_cell_volume 313.48727
_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
Ga1 Ga 0.36094 0.06197 0.72829 1.00000
Ga2 Ga 0.63906 0.93803 0.27171 1.00000
Ga3 Ga 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.91646 0.76099 0.82581 1.00000
Sn2 Sn 0.72094 0.17480 0.44491 1.00000
Sn3 Sn 0.27906 0.82520 0.55509 1.00000
Sn4 Sn 0.08354 0.23901 0.17419 1.00000
Bi1 Bi 0.45143 0.34734 0.90281 1.00000
Bi2 Bi 0.54857 0.65266 0.09719 1.00000
Bi3 Bi 0.17883 0.57241 0.35811 1.00000
Bi4 Bi 0.82117 0.42759 0.64189 1.00000
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