K2Mn2CrO6
Alexandria ALEXAlex-ID: agm010909668 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_1591_spg8
MnCr2O4 KMnO2 K2CrO4 Mn3O4
2024-03-17 21:09:19.084293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010909668).
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 agm010909668
data_agm010909668
_cell_length_a 7.98311
_cell_length_b 7.98311
_cell_length_c 7.05474
_cell_angle_alpha 64.41703
_cell_angle_beta 64.41703
_cell_angle_gamma 21.74828
_cell_volume 149.62067
_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 0.45332 0.45332 0.60311 1.00000
K2 K 0.20161 0.20161 0.08738 1.00000
Mn1 Mn 0.66635 0.66635 0.65014 1.00000
Mn2 Mn 0.99729 0.99729 0.00524 1.00000
Cr1 Cr 0.33389 0.33389 0.34030 1.00000
O1 O 0.41024 0.41024 0.02117 1.00000
O2 O 0.08729 0.08729 0.64295 1.00000
O3 O 0.74419 0.74419 0.34941 1.00000
O4 O 0.24783 0.24783 0.65976 1.00000
O5 O 0.91753 0.91753 0.34311 1.00000
O6 O 0.58897 0.58897 0.96410 1.00000
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