Mn(PO3)2
Alexandria ALEXAlex-ID: agm005658589 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_559_spg15
Mn(PO3)2
2023-07-09 01:59:31.986254
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658589).
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 agm005658589
data_agm005658589
_cell_length_a 5.03587
_cell_length_b 6.88057
_cell_length_c 6.88057
_cell_angle_alpha 85.41472
_cell_angle_beta 77.52296
_cell_angle_gamma 77.52296
_cell_volume 227.14256
_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
Mn1 Mn 0.25000 0.87675 0.12325 1.00000
Mn2 Mn 0.75000 0.12325 0.87675 1.00000
P1 P 0.23948 0.37217 0.19936 1.00000
P2 P 0.73948 0.19936 0.37217 1.00000
P3 P 0.26052 0.80064 0.62783 1.00000
P4 P 0.76052 0.62783 0.80064 1.00000
O1 O 0.33337 0.19986 0.05938 1.00000
O2 O 0.83337 0.05938 0.19986 1.00000
O3 O 0.16663 0.94062 0.80014 1.00000
O4 O 0.66663 0.80014 0.94062 1.00000
O5 O 0.19772 0.58083 0.11611 1.00000
O6 O 0.69772 0.11611 0.58083 1.00000
O7 O 0.30228 0.88389 0.41917 1.00000
O8 O 0.80228 0.41917 0.88389 1.00000
O9 O 0.45649 0.35175 0.34632 1.00000
O10 O 0.95649 0.34632 0.35175 1.00000
O11 O 0.04351 0.65368 0.64825 1.00000
O12 O 0.54351 0.64825 0.65368 1.00000
Get direct link