Ba2NaSrO8
Alexandria ALEXAlex-ID: agm062972034 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_524_spg2
BaSr2O6 NaSrO4 Ba3NaO8
2024-11-05 01:25:06.204996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062972034).
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 agm062972034
data_agm062972034
_cell_length_a 4.17814
_cell_length_b 4.17906
_cell_length_c 11.44782
_cell_angle_alpha 89.99110
_cell_angle_beta 89.98966
_cell_angle_gamma 78.26653
_cell_volume 195.71015
_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 0.67517 0.01241 0.01592 1.00000
Ba2 Ba 0.67472 0.01202 0.53719 1.00000
Na1 Na 0.18686 0.52505 0.77654 1.00000
Sr1 Sr 0.15731 0.49448 0.27652 1.00000
O1 O 0.25682 0.59406 0.57756 1.00000
O2 O 0.59125 0.92615 0.77661 1.00000
O3 O 0.09054 0.42792 0.48832 1.00000
O4 O 0.09102 0.42832 0.06472 1.00000
O5 O 0.80626 0.14386 0.77636 1.00000
O6 O 0.25729 0.59447 0.97544 1.00000
O7 O 0.53963 0.87663 0.27627 1.00000
O8 O 0.76768 0.10468 0.27662 1.00000
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