Ba8Tl4Sn
Alexandria ALEXAlex-ID: agm097286199 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1504_spg8
Ba2Tl Ba2Sn BaTl
2025-06-19 02:19:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097286199).
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 agm097286199
data_agm097286199
_cell_length_a 4.89334
_cell_length_b 11.05295
_cell_length_c 12.32045
_cell_angle_alpha 116.42460
_cell_angle_beta 88.94189
_cell_angle_gamma 90.39808
_cell_volume 596.63822
_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 0.57929 0.19095 0.38974 1.00000
Ba2 Ba 0.63394 0.18120 0.86203 1.00000
Ba3 Ba 0.64825 0.63025 0.26044 1.00000
Ba4 Ba 0.63222 0.68365 0.86303 1.00000
Ba5 Ba 0.12663 0.30391 0.18216 1.00000
Ba6 Ba 0.11009 0.34031 0.67262 1.00000
Ba7 Ba 0.12329 0.87634 0.17922 1.00000
Ba8 Ba 0.23195 0.79182 0.58776 1.00000
Tl1 Tl 0.13400 0.95222 0.90295 1.00000
Tl2 Tl 0.76814 0.98320 0.51117 1.00000
Tl3 Tl 0.13135 0.50078 0.00069 1.00000
Tl4 Tl 0.74880 0.52459 0.50955 1.00000
Sn1 Sn 0.63205 0.04078 0.07864 1.00000
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