K8BaO4
Alexandria ALEXAlex-ID: agm097969935 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2042_spg38
K14Ba2O9 K4O BaO
2025-06-17 20:15:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097969935).
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 agm097969935
data_agm097969935
_cell_length_a 4.07624
_cell_length_b 11.83111
_cell_length_c 10.23583
_cell_angle_alpha 115.54044
_cell_angle_beta 90.00127
_cell_angle_gamma 89.98660
_cell_volume 445.40042
_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 0.73052 0.90540 0.41361 1.00000
K2 K 0.73092 0.33026 0.12703 1.00000
K3 K 0.73085 0.48404 0.70394 1.00000
K4 K 0.23062 0.63506 0.51653 1.00000
K5 K 0.23089 0.29678 0.36980 1.00000
K6 K 0.73061 0.60460 0.26378 1.00000
K7 K 0.23058 0.63511 0.04151 1.00000
K8 K 0.23084 0.29665 0.85100 1.00000
Ba1 Ba 0.73114 0.00960 0.96579 1.00000
O1 O 0.23105 0.14386 0.03290 1.00000
O2 O 0.73070 0.45532 0.95505 1.00000
O3 O 0.73073 0.45523 0.42385 1.00000
O4 O 0.23055 0.74809 0.33522 1.00000
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