Ba3Ga4Sn7
Alexandria ALEXAlex-ID: agm005698281 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
BaSn5 BaSn2 BaGa4
2023-06-29 17:05:01.214268
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698281).
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 agm005698281
data_agm005698281
_cell_length_a 5.04990
_cell_length_b 9.57275
_cell_length_c 9.61001
_cell_angle_alpha 67.30101
_cell_angle_beta 74.76720
_cell_angle_gamma 74.70648
_cell_volume 406.58328
_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 0.31601 0.17652 0.19146 1.00000
Ba2 Ba 0.68399 0.82348 0.80854 1.00000
Ba3 Ba 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.66659 0.46376 0.20306 1.00000
Ga2 Ga 0.33341 0.53624 0.79694 1.00000
Ga3 Ga 0.85553 0.91510 0.37385 1.00000
Ga4 Ga 0.14447 0.08490 0.62615 1.00000
Sn1 Sn 0.33148 0.80349 0.53355 1.00000
Sn2 Sn 0.49340 0.22789 0.78531 1.00000
Sn3 Sn 0.84468 0.39254 0.91810 1.00000
Sn4 Sn 0.66852 0.19651 0.46645 1.00000
Sn5 Sn 0.15532 0.60746 0.08190 1.00000
Sn6 Sn 0.00000 0.00000 0.00000 1.00000
Sn7 Sn 0.50660 0.77211 0.21469 1.00000
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