Ba2SrTa2
Alexandria ALEXAlex-ID: agm002947553 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_168_spg139
Ba15Sr Sr Ta
2016-12-10 11:13:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002947553).
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 agm002947553
data_agm002947553
_cell_length_a 3.85072
_cell_length_b 3.85072
_cell_length_c 13.66295
_cell_angle_alpha 81.89901
_cell_angle_beta 81.89901
_cell_angle_gamma 90.00000
_cell_volume 198.53105
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Ba1 Ba 0.36517 0.36517 0.26966 1.00000
Ba2 Ba 0.63483 0.63483 0.73034 1.00000
Ta1 Ta 0.75000 0.25000 0.50000 1.00000
Ta2 Ta 0.25000 0.75000 0.50000 1.00000
