K3Mg2BiO6
Alexandria ALEXAlex-ID: agm002365331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
K3BiO4 MgO
2019-02-28 09:13:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002365331).
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 agm002365331
data_agm002365331
_cell_length_a 6.43082
_cell_length_b 5.66656
_cell_length_c 5.66656
_cell_angle_alpha 120.06306
_cell_angle_beta 98.38705
_cell_angle_gamma 98.38716
_cell_volume 170.92589
_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
Mg1 Mg 0.00000 0.33359 0.66641 1.00000
Mg2 Mg 1.00000 0.66641 0.33359 1.00000
K1 K 0.50000 0.17216 0.82785 1.00000
K2 K 0.50000 0.82784 0.17215 1.00000
K3 K 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
O1 O 0.81866 0.93896 0.60966 1.00000
O2 O 0.18362 0.73214 0.73214 1.00000
O3 O 0.18134 0.06104 0.39034 1.00000
O4 O 0.81866 0.60966 0.93896 1.00000
O5 O 0.81638 0.26786 0.26786 1.00000
O6 O 0.18134 0.39034 0.06104 1.00000
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