Ba(InSn3)2
Alexandria ALEXAlex-ID: agm005606895 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2744_spg15
BaSn5 Sn In
2023-07-08 10:48:40.458049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606895).
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 agm005606895
data_agm005606895
_cell_length_a 4.56958
_cell_length_b 17.40655
_cell_length_c 17.40654
_cell_angle_alpha 143.94842
_cell_angle_beta 100.90487
_cell_angle_gamma 100.90488
_cell_volume 644.81160
_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 0.25000 0.17571 0.82429 1.00000
Ba2 Ba 0.75000 0.82429 0.17571 1.00000
In1 In 0.17001 0.47767 0.74832 1.00000
In2 In 0.32999 0.25168 0.52233 1.00000
In3 In 0.82999 0.52233 0.25168 1.00000
In4 In 0.67001 0.74832 0.47767 1.00000
Sn1 Sn 0.42913 0.69765 0.64255 1.00000
Sn2 Sn 0.07087 0.35745 0.30235 1.00000
Sn3 Sn 0.57087 0.30235 0.35745 1.00000
Sn4 Sn 0.92913 0.64255 0.69765 1.00000
Sn5 Sn 0.66821 0.83969 0.38699 1.00000
Sn6 Sn 0.83179 0.61301 0.16031 1.00000
Sn7 Sn 0.33179 0.16031 0.61301 1.00000
Sn8 Sn 0.16821 0.38699 0.83969 1.00000
Sn9 Sn 0.96289 0.70448 0.91345 1.00000
Sn10 Sn 0.53711 0.08655 0.29552 1.00000
Sn11 Sn 0.03711 0.29552 0.08655 1.00000
Sn12 Sn 0.46289 0.91345 0.70448 1.00000
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