MnP2O7
Alexandria ALEXAlex-ID: agm005259135 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_205_spg2
Mn2P4O13 Mn(PO3)3 MnO8
2024-10-09 20:42:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259135).
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 agm005259135
data_agm005259135
_cell_length_a 6.28117
_cell_length_b 9.75086
_cell_length_c 10.58528
_cell_angle_alpha 66.40974
_cell_angle_beta 80.56776
_cell_angle_gamma 73.36728
_cell_volume 568.37775
_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 0.28717 0.88728 0.22262 1.00000
Mn2 Mn 0.37922 0.24582 0.25043 1.00000
Mn3 Mn 0.62078 0.75418 0.74957 1.00000
Mn4 Mn 0.71283 0.11272 0.77738 1.00000
P1 P 0.10035 0.85562 0.70116 1.00000
P2 P 0.30388 0.21182 0.97067 1.00000
P3 P 0.08401 0.62892 0.19810 1.00000
P4 P 0.40801 0.84111 0.46277 1.00000
P5 P 0.59199 0.15889 0.53723 1.00000
P6 P 0.91599 0.37108 0.80190 1.00000
P7 P 0.69612 0.78818 0.02933 1.00000
P8 P 0.89965 0.14438 0.29884 1.00000
O1 O 0.03663 0.42999 0.65957 1.00000
O2 O 0.07038 0.33601 0.92506 1.00000
O3 O 0.00060 0.00918 0.72173 1.00000
O4 O 0.06404 0.24080 0.27814 1.00000
O5 O 0.26349 0.04986 0.04452 1.00000
O6 O 0.19375 0.91189 0.54126 1.00000
O7 O 0.34418 0.73152 0.41063 1.00000
O8 O 0.43508 0.22558 0.83162 1.00000
O9 O 0.30620 0.75760 0.78361 1.00000
O10 O 0.13442 0.78594 0.15861 1.00000
O11 O 0.43218 0.97561 0.31934 1.00000
O12 O 0.39999 0.26677 0.05955 1.00000
O13 O 0.27918 0.49460 0.19863 1.00000
O14 O 0.39643 0.21682 0.44707 1.00000
O15 O 0.60357 0.78318 0.55293 1.00000
O16 O 0.72082 0.50540 0.80137 1.00000
O17 O 0.60001 0.73323 0.94045 1.00000
O18 O 0.56782 0.02439 0.68066 1.00000
O19 O 0.86558 0.21406 0.84139 1.00000
O20 O 0.69380 0.24240 0.21639 1.00000
O21 O 0.56492 0.77442 0.16838 1.00000
O22 O 0.65582 0.26848 0.58937 1.00000
O23 O 0.80625 0.08811 0.45874 1.00000
O24 O 0.73651 0.95014 0.95548 1.00000
O25 O 0.93596 0.75920 0.72186 1.00000
O26 O 0.99940 0.99082 0.27827 1.00000
O27 O 0.92962 0.66399 0.07494 1.00000
O28 O 0.96337 0.57001 0.34043 1.00000
