Mn2P2O7
Alexandria ALEXAlex-ID: agm013206520 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_13_spg2
Mn2P2O7
2024-12-09 07:46:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013206520).
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 agm013206520
data_agm013206520
_cell_length_a 6.41162
_cell_length_b 6.59412
_cell_length_c 6.93048
_cell_angle_alpha 68.70592
_cell_angle_beta 79.86513
_cell_angle_gamma 81.54504
_cell_volume 267.64319
_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 0.93180 0.27923 0.21673 1.00000
Mn2 Mn 0.06820 0.72077 0.78327 1.00000
Mn3 Mn 0.34767 0.89375 0.23494 1.00000
Mn4 Mn 0.65233 0.10625 0.76506 1.00000
P1 P 0.15184 0.20749 0.77054 1.00000
P2 P 0.84816 0.79251 0.22946 1.00000
P3 P 0.60045 0.64795 0.66179 1.00000
P4 P 0.39955 0.35205 0.33821 1.00000
O1 O 0.74243 0.62833 0.44578 1.00000
O2 O 0.25757 0.37167 0.55422 1.00000
O3 O 0.99733 0.07930 0.72131 1.00000
O4 O 0.00267 0.92070 0.27869 1.00000
O5 O 0.61829 0.23491 0.40173 1.00000
O6 O 0.38171 0.76509 0.59827 1.00000
O7 O 0.40893 0.58652 0.19595 1.00000
O8 O 0.59107 0.41348 0.80405 1.00000
O9 O 0.96000 0.63474 0.11745 1.00000
O10 O 0.04000 0.36526 0.88255 1.00000
O11 O 0.67470 0.95200 0.11448 1.00000
O12 O 0.32530 0.04800 0.88552 1.00000
O13 O 0.27061 0.21522 0.27101 1.00000
O14 O 0.72939 0.78478 0.72899 1.00000
