KMgNbO4
Alexandria ALEXAlex-ID: agm005050892 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_629_spg11
KNbO3 MgO
2022-07-16 04:57:04.436652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005050892).
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 agm005050892
data_agm005050892
_cell_length_a 5.70487
_cell_length_b 5.80436
_cell_length_c 7.99470
_cell_angle_alpha 90.00000
_cell_angle_beta 111.81334
_cell_angle_gamma 90.00000
_cell_volume 245.77470
_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 0.37230 0.75000 0.85794 1.00000
K2 K 0.62770 0.25000 0.14206 1.00000
Mg1 Mg 0.82010 0.75000 0.46739 1.00000
Mg2 Mg 0.17990 0.25000 0.53261 1.00000
Nb1 Nb 0.26217 0.75000 0.34953 1.00000
Nb2 Nb 0.73783 0.25000 0.65047 1.00000
O1 O 0.96786 0.48980 0.65734 1.00000
O2 O 0.03214 0.98980 0.34266 1.00000
O3 O 0.03214 0.51020 0.34266 1.00000
O4 O 0.96786 0.01020 0.65734 1.00000
O5 O 0.47610 0.75000 0.21523 1.00000
O6 O 0.52390 0.25000 0.78477 1.00000
O7 O 0.51101 0.75000 0.57665 1.00000
O8 O 0.48899 0.25000 0.42335 1.00000
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