KBa2SrO8
Alexandria ALEXAlex-ID: agm063530008 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_52_spg2
BaSr2O6 Ba2SrO6 KBaO4
2024-10-25 18:33:11.803863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063530008).
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 agm063530008
data_agm063530008
_cell_length_a 4.35830
_cell_length_b 6.89278
_cell_length_c 6.99307
_cell_angle_alpha 105.15798
_cell_angle_beta 98.51636
_cell_angle_gamma 94.90337
_cell_volume 198.82809
_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
K1 K 0.50000 0.50000 0.50000 1.00000
Ba1 Ba 0.25856 0.98007 0.74360 1.00000
Ba2 Ba 0.74144 0.01993 0.25640 1.00000
Sr1 Sr 0.00000 0.50000 0.00000 1.00000
O1 O 0.24391 0.80695 0.32898 1.00000
O2 O 0.51512 0.69203 0.92035 1.00000
O3 O 0.21869 0.20508 0.13703 1.00000
O4 O 0.75609 0.19305 0.67102 1.00000
O5 O 0.48488 0.30797 0.07965 1.00000
O6 O 0.78131 0.79492 0.86297 1.00000
O7 O 0.97832 0.69710 0.37822 1.00000
O8 O 0.02168 0.30290 0.62178 1.00000
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