Mn(PO3)5
Alexandria ALEXAlex-ID: agm003248697 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C15_11_spg11
Mn(PO3)3 P2O5 O2
2021-12-20 15:39:36.477677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003248697).
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 agm003248697
data_agm003248697
_cell_length_a 13.57089
_cell_length_b 5.07682
_cell_length_c 9.21109
_cell_angle_alpha 80.43271
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 625.78950
_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 0.00000 0.50000 0.50000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
P1 P 0.36091 0.00666 0.46437 1.00000
P2 P 0.13909 0.00666 0.46437 1.00000
P3 P 0.92966 0.65612 0.81221 1.00000
P4 P 0.57034 0.65612 0.81221 1.00000
P5 P 0.25000 0.49809 0.02039 1.00000
P6 P 0.75000 0.50191 0.97961 1.00000
P7 P 0.42966 0.34388 0.18779 1.00000
P8 P 0.07034 0.34388 0.18779 1.00000
P9 P 0.86091 0.99334 0.53563 1.00000
P10 P 0.63909 0.99334 0.53563 1.00000
O1 O 0.75000 0.94360 0.48916 1.00000
O2 O 0.98378 0.77234 0.92338 1.00000
O3 O 0.51622 0.77234 0.92338 1.00000
O4 O 0.25000 0.70047 0.87985 1.00000
O5 O 0.86504 0.89306 0.70604 1.00000
O6 O 0.63496 0.89306 0.70604 1.00000
O7 O 0.92517 0.82686 0.45019 1.00000
O8 O 0.57483 0.82686 0.45019 1.00000
O9 O 0.37762 0.70694 0.49874 1.00000
O10 O 0.12238 0.70694 0.49874 1.00000
O11 O 0.98721 0.50876 0.70706 1.00000
O12 O 0.51279 0.50876 0.70706 1.00000
O13 O 0.83925 0.45872 0.87156 1.00000
O14 O 0.66075 0.45872 0.87156 1.00000
O15 O 0.75000 0.77321 0.02691 1.00000
O16 O 0.25000 0.22679 0.97309 1.00000
O17 O 0.33925 0.54128 0.12844 1.00000
O18 O 0.16075 0.54128 0.12844 1.00000
O19 O 0.48721 0.49124 0.29294 1.00000
O20 O 0.01279 0.49124 0.29294 1.00000
O21 O 0.87762 0.29306 0.50126 1.00000
O22 O 0.62238 0.29306 0.50126 1.00000
O23 O 0.42517 0.17314 0.54981 1.00000
O24 O 0.07483 0.17314 0.54981 1.00000
O25 O 0.36504 0.10694 0.29396 1.00000
O26 O 0.13496 0.10694 0.29396 1.00000
O27 O 0.75000 0.29953 0.12015 1.00000
O28 O 0.48378 0.22766 0.07662 1.00000
O29 O 0.01622 0.22766 0.07662 1.00000
O30 O 0.25000 0.05640 0.51084 1.00000
