Ba4Sr11
Alexandria ALEXAlex-ID: agm005536660 · Space group: P4_2/mnm (#136)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B11_0_spg136
Ba15Sr Sr
2023-05-28 07:21:29.321066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536660).
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 agm005536660
data_agm005536660
_cell_length_a 7.82024
_cell_length_b 14.87360
_cell_length_c 14.87361
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00101
_cell_angle_gamma 89.99979
_cell_volume 1730.02579
_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 1.00000 0.13401 0.54061 1.00000
Ba2 Ba 0.00000 0.86599 0.45939 1.00000
Ba3 Ba 0.50000 0.95939 0.63401 1.00000
Ba4 Ba 0.50000 0.04061 0.36599 1.00000
Ba5 Ba 0.50000 0.36599 0.04061 1.00000
Ba6 Ba 0.50000 0.63401 0.95939 1.00000
Ba7 Ba 1.00000 0.54061 0.13401 1.00000
Ba8 Ba 0.00000 0.45939 0.86599 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.50000 0.50000 0.50000 1.00000
Sr3 Sr 0.00000 0.40200 0.59800 1.00000
Sr4 Sr 1.00000 0.59800 0.40200 1.00000
Sr5 Sr 0.50000 0.90200 0.90200 1.00000
Sr6 Sr 0.50000 0.09800 0.09800 1.00000
Sr7 Sr 1.00000 0.06878 0.25903 1.00000
Sr8 Sr 0.00000 0.93122 0.74097 1.00000
Sr9 Sr 0.50000 0.24097 0.56878 1.00000
Sr10 Sr 0.50000 0.75903 0.43122 1.00000
Sr11 Sr 0.50000 0.43122 0.75903 1.00000
Sr12 Sr 0.50000 0.56878 0.24097 1.00000
Sr13 Sr 0.00000 0.25903 0.06878 1.00000
Sr14 Sr 1.00000 0.74097 0.93122 1.00000
Sr15 Sr 0.24867 0.32057 0.32057 1.00000
Sr16 Sr 0.24867 0.67943 0.67943 1.00000
Sr17 Sr 0.74867 0.17943 0.82057 1.00000
Sr18 Sr 0.74867 0.82057 0.17943 1.00000
Sr19 Sr 0.25133 0.17943 0.82057 1.00000
Sr20 Sr 0.25133 0.82057 0.17943 1.00000
Sr21 Sr 0.75133 0.32057 0.32057 1.00000
Sr22 Sr 0.75133 0.67943 0.67943 1.00000
