Mn(PO3)2
Alexandria ALEXAlex-ID: agm005257845 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_163_spg15
Mn(PO3)2
2022-12-13 06:32:26.462166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005257845).
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 agm005257845
data_agm005257845
_cell_length_a 7.49142
_cell_length_b 7.49142
_cell_length_c 10.35558
_cell_angle_alpha 66.44323
_cell_angle_beta 66.44323
_cell_angle_gamma 69.83410
_cell_volume 476.35655
_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 0.00000 0.00000 1.00000
Mn3 Mn 0.54296 0.45704 0.75000 1.00000
Mn4 Mn 0.45704 0.54296 0.25000 1.00000
P1 P 0.79892 0.81547 0.69160 1.00000
P2 P 0.18453 0.20108 0.80840 1.00000
P3 P 0.20108 0.18453 0.30840 1.00000
P4 P 0.81547 0.79892 0.19160 1.00000
P5 P 0.75944 0.22670 0.47659 1.00000
P6 P 0.77330 0.24056 0.02341 1.00000
P7 P 0.24056 0.77330 0.52341 1.00000
P8 P 0.22670 0.75944 0.97659 1.00000
O1 O 0.03274 0.80321 0.65384 1.00000
O2 O 0.19679 0.96726 0.84616 1.00000
O3 O 0.96726 0.19679 0.34616 1.00000
O4 O 0.80321 0.03274 0.15384 1.00000
O5 O 0.73224 0.00041 0.55916 1.00000
O6 O 0.99959 0.26776 0.94084 1.00000
O7 O 0.26776 0.99959 0.44084 1.00000
O8 O 0.00041 0.73224 0.05916 1.00000
O9 O 0.69323 0.85344 0.83654 1.00000
O10 O 0.14656 0.30677 0.66346 1.00000
O11 O 0.30677 0.14656 0.16346 1.00000
O12 O 0.85344 0.69323 0.33654 1.00000
O13 O 0.77847 0.63311 0.67275 1.00000
O14 O 0.36689 0.22153 0.82725 1.00000
O15 O 0.22153 0.36689 0.32725 1.00000
O16 O 0.63311 0.77847 0.17275 1.00000
O17 O 0.78724 0.30595 0.58009 1.00000
O18 O 0.69405 0.21276 0.91991 1.00000
O19 O 0.21276 0.69405 0.41991 1.00000
O20 O 0.30595 0.78724 0.08009 1.00000
O21 O 0.40372 0.66294 0.59103 1.00000
O22 O 0.33706 0.59628 0.90897 1.00000
O23 O 0.59628 0.33706 0.40897 1.00000
O24 O 0.66294 0.40372 0.09103 1.00000
