Na2Mn3O6
Alexandria ALEXAlex-ID: agm010899069 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_199_spg12
NaMn2O4 Na3Mn4O8
2024-12-20 04:16:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010899069).
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 agm010899069
data_agm010899069
_cell_length_a 8.10059
_cell_length_b 8.10059
_cell_length_c 6.16483
_cell_angle_alpha 68.60067
_cell_angle_beta 111.39933
_cell_angle_gamma 159.20423
_cell_volume 133.37715
_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
Na1 Na 0.36709 0.63291 0.26487 1.00000
Na2 Na 0.63291 0.36709 0.73513 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
Mn2 Mn 0.17322 0.82678 0.30064 1.00000
Mn3 Mn 0.82678 0.17322 0.69936 1.00000
O1 O 0.40818 0.59182 0.68349 1.00000
O2 O 0.75371 0.24629 0.29362 1.00000
O3 O 0.06750 0.93250 0.93063 1.00000
O4 O 0.59182 0.40818 0.31651 1.00000
O5 O 0.93250 0.06750 0.06937 1.00000
O6 O 0.24629 0.75371 0.70638 1.00000
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