Ba15Sr4
Alexandria ALEXAlex-ID: agm073023944 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
Ba15Sr Sr
2024-10-20 08:29:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023944).
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 agm073023944
data_agm073023944
_cell_length_a 14.58881
_cell_length_b 14.58881
_cell_length_c 14.58881
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 2390.21786
_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 0.87225 0.92604 0.72491 1.00000
Ba2 Ba 0.25000 0.12500 0.87500 1.00000
Ba3 Ba 0.57396 0.44621 0.79887 1.00000
Ba4 Ba 0.44621 0.79887 0.57396 1.00000
Ba5 Ba 0.14734 0.77509 0.70113 1.00000
Ba6 Ba 0.55379 0.85266 0.12775 1.00000
Ba7 Ba 0.62775 0.35266 0.05379 1.00000
Ba8 Ba 0.29887 0.94621 0.07396 1.00000
Ba9 Ba 0.85266 0.12775 0.55379 1.00000
Ba10 Ba 0.35266 0.05379 0.62775 1.00000
Ba11 Ba 0.72491 0.87225 0.92604 1.00000
Ba12 Ba 0.37225 0.22491 0.42604 1.00000
Ba13 Ba 0.12500 0.87500 0.25000 1.00000
Ba14 Ba 0.92604 0.72491 0.87225 1.00000
Ba15 Ba 0.37500 0.62500 0.75000 1.00000
Ba16 Ba 0.20113 0.27509 0.64734 1.00000
Ba17 Ba 0.27509 0.64734 0.20113 1.00000
Ba18 Ba 0.64734 0.20113 0.27509 1.00000
Ba19 Ba 0.42604 0.37225 0.22491 1.00000
Ba20 Ba 0.87500 0.25000 0.12500 1.00000
Ba21 Ba 0.77509 0.70113 0.14734 1.00000
Ba22 Ba 0.70113 0.14734 0.77509 1.00000
Ba23 Ba 0.07396 0.29887 0.94621 1.00000
Ba24 Ba 0.05379 0.62775 0.35266 1.00000
Ba25 Ba 0.22491 0.42604 0.37225 1.00000
Ba26 Ba 0.79887 0.57396 0.44621 1.00000
Ba27 Ba 0.12775 0.55379 0.85266 1.00000
Ba28 Ba 0.75000 0.37500 0.62500 1.00000
Ba29 Ba 0.94621 0.07396 0.29887 1.00000
Ba30 Ba 0.62500 0.75000 0.37500 1.00000
Sr1 Sr 0.58805 0.58805 0.58805 1.00000
Sr2 Sr 0.91195 0.50000 0.00000 1.00000
Sr3 Sr 0.08805 0.08805 0.08805 1.00000
Sr4 Sr 0.00000 0.41195 0.50000 1.00000
Sr5 Sr 0.00000 0.91195 0.50000 1.00000
Sr6 Sr 0.41195 0.50000 0.00000 1.00000
Sr7 Sr 0.50000 0.00000 0.41195 1.00000
Sr8 Sr 0.50000 0.00000 0.91195 1.00000
