Ba2Sn2As5
Alexandria ALEXAlex-ID: agm008928670 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_423_spg64
BaAs3 Ba(SnAs)2
2024-03-03 01:23:31.680992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008928670).
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 agm008928670
data_agm008928670
_cell_length_a 7.11646
_cell_length_b 8.86404
_cell_length_c 10.09002
_cell_angle_alpha 116.11835
_cell_angle_beta 98.04732
_cell_angle_gamma 89.96739
_cell_volume 564.52741
_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 0.03818 0.80090 0.65280 1.00000
Ba2 Ba 0.53551 0.35044 0.65202 1.00000
Ba3 Ba 0.96182 0.19910 0.34720 1.00000
Ba4 Ba 0.46449 0.64956 0.34798 1.00000
Sn1 Sn 0.21552 0.72851 0.00806 1.00000
Sn2 Sn 0.78448 0.27149 0.99194 1.00000
Sn3 Sn 0.71565 0.77901 0.00733 1.00000
Sn4 Sn 0.28435 0.22099 0.99267 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.50000 0.50000 0.00000 1.00000
As3 As 0.04106 0.46640 0.71544 1.00000
As4 As 0.98420 0.23035 0.76095 1.00000
As5 As 0.54393 0.74890 0.71574 1.00000
As6 As 0.48457 0.03047 0.76163 1.00000
As7 As 0.95894 0.53360 0.28456 1.00000
As8 As 0.01580 0.76965 0.23905 1.00000
As9 As 0.45607 0.25110 0.28426 1.00000
As10 As 0.51543 0.96953 0.23837 1.00000
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