K6NaO8
Alexandria ALEXAlex-ID: agm072390935 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_1116_spg1
K5O6 K2O3 Na2O
2024-10-07 01:53:01.538186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072390935).
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 agm072390935
data_agm072390935
_cell_length_a 6.79066
_cell_length_b 7.32019
_cell_length_c 7.53659
_cell_angle_alpha 112.58735
_cell_angle_beta 115.04115
_cell_angle_gamma 92.05732
_cell_volume 304.43749
_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 0.85738 0.78963 0.56846 1.00000
K2 K 0.48291 0.62870 0.96591 1.00000
K3 K 0.89205 0.31418 0.73028 1.00000
K4 K 0.33638 0.03922 0.61704 1.00000
K5 K 0.79537 0.13639 0.22153 1.00000
K6 K 0.20090 0.47735 0.27838 1.00000
Na1 Na 0.17300 0.91237 0.11402 1.00000
O1 O 0.07655 0.50851 0.58138 1.00000
O2 O 0.18910 0.33892 0.57246 1.00000
O3 O 0.16826 0.11858 0.92540 1.00000
O4 O 0.44476 0.78495 0.32971 1.00000
O5 O 0.89323 0.63994 0.02353 1.00000
O6 O 0.93874 0.79411 0.23519 1.00000
O7 O 0.96620 0.10350 0.95870 1.00000
O8 O 0.55604 0.98307 0.36378 1.00000
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