KMg2O6
Alexandria ALEXAlex-ID: agm097802983 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3946_spg2
MgO KO4
2025-04-07 04:36:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097802983).
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
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# CIF generated by HEAS from Alexandria entry agm097802983
data_agm097802983
_cell_length_a 3.44944
_cell_length_b 4.01913
_cell_length_c 9.20551
_cell_angle_alpha 91.92089
_cell_angle_beta 86.68598
_cell_angle_gamma 96.38040
_cell_volume 126.57282
_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 0.66985 0.21638 0.86791 1.00000
Mg1 Mg 0.14510 0.93450 0.19630 1.00000
Mg2 Mg 0.67947 0.03320 0.49508 1.00000
O1 O 0.20422 0.68227 0.98748 1.00000
O2 O 0.80183 0.54356 0.53229 1.00000
O3 O 0.16722 0.99889 0.63143 1.00000
O4 O 0.63734 0.99685 0.28790 1.00000
O5 O 0.04992 0.64139 0.64948 1.00000
O6 O 0.14506 0.45297 0.10214 1.00000
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