Ba2Sr12Tl7
Alexandria ALEXAlex-ID: agm005669459 · Space group: P-6 (#174)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_15_spg174
Sr2Tl Ba2Tl
2023-06-21 10:13:20.906153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669459).
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 agm005669459
data_agm005669459
_cell_length_a 4.43273
_cell_length_b 15.14793
_cell_length_c 15.14793
_cell_angle_alpha 119.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 880.86330
_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 0.50000 0.00000 0.00000 1.00000
Ba2 Ba 0.00000 0.66667 0.33333 1.00000
Sr1 Sr 0.50000 0.89131 0.60361 1.00000
Sr2 Sr 0.50000 0.71230 0.10869 1.00000
Sr3 Sr 0.50000 0.39639 0.28770 1.00000
Sr4 Sr 0.50000 0.21211 0.77960 1.00000
Sr5 Sr 0.50000 0.56749 0.78789 1.00000
Sr6 Sr 0.50000 0.22039 0.43251 1.00000
Sr7 Sr 0.00000 0.06396 0.52918 1.00000
Sr8 Sr 0.00000 0.46521 0.93604 1.00000
Sr9 Sr 0.00000 0.47082 0.53479 1.00000
Sr10 Sr 0.00000 0.77315 0.73762 1.00000
Sr11 Sr 0.00000 0.96447 0.22685 1.00000
Sr12 Sr 0.00000 0.26238 0.03553 1.00000
Tl1 Tl 0.00000 0.33333 0.66667 1.00000
Tl2 Tl 0.00000 0.03696 0.80309 1.00000
Tl3 Tl 0.00000 0.76613 0.96304 1.00000
Tl4 Tl 0.00000 0.19691 0.23387 1.00000
Tl5 Tl 0.50000 0.63492 0.52429 1.00000
Tl6 Tl 0.50000 0.88936 0.36508 1.00000
Tl7 Tl 0.50000 0.47571 0.11064 1.00000
