Ba3(GaSn2)2
Alexandria ALEXAlex-ID: agm005604527 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_728_spg12
BaGaSn Ba3Sn5 BaGa4
2023-06-27 01:17:32.430427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604527).
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 agm005604527
data_agm005604527
_cell_length_a 4.69302
_cell_length_b 7.10942
_cell_length_c 9.70242
_cell_angle_alpha 93.68997
_cell_angle_beta 90.00005
_cell_angle_gamma 109.27224
_cell_volume 304.86613
_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 0.66141 0.32282 0.66209 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.33859 0.67718 0.33791 1.00000
Ga1 Ga 0.57447 0.14894 0.24290 1.00000
Ga2 Ga 0.42553 0.85106 0.75710 1.00000
Sn1 Sn 0.74115 0.48229 0.08909 1.00000
Sn2 Sn 0.25885 0.51771 0.91091 1.00000
Sn3 Sn 0.92226 0.84451 0.60135 1.00000
Sn4 Sn 0.07774 0.15549 0.39865 1.00000
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