MnNbFe(P2O7)2
Alexandria ALEXAlex-ID: agm011020135 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_10_spg1
MnFe(PO3)4 MnFeP2O7 Mn2P2O7 NbPO5 FeP
2024-04-14 11:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011020135).
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 agm011020135
data_agm011020135
_cell_length_a 5.05360
_cell_length_b 7.03797
_cell_length_c 8.62471
_cell_angle_alpha 88.89992
_cell_angle_beta 88.65944
_cell_angle_gamma 71.89483
_cell_volume 291.46518
_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 0.19070 0.30412 0.87985 1.00000
Nb1 Nb 0.19723 0.28860 0.48422 1.00000
Fe1 Fe 0.77586 0.75392 0.00691 1.00000
P1 P 0.38828 0.49775 0.17825 1.00000
P2 P 0.22413 0.91650 0.77611 1.00000
P3 P 0.77419 0.10036 0.27666 1.00000
P4 P 0.60939 0.51897 0.68479 1.00000
O1 O 0.02614 0.16691 0.32716 1.00000
O2 O 0.12756 0.10380 0.66773 1.00000
O3 O 0.16749 0.50115 0.05684 1.00000
O4 O 0.26340 0.50333 0.34501 1.00000
O5 O 0.38847 0.40455 0.67724 1.00000
O6 O 0.58673 0.10582 0.42173 1.00000
O7 O 0.60617 0.27266 0.15624 1.00000
O8 O 0.44420 0.75266 0.66946 1.00000
O9 O 0.38097 0.98187 0.90677 1.00000
O10 O 0.53853 0.64815 0.15423 1.00000
O11 O 0.75935 0.48090 0.83980 1.00000
O12 O 0.80179 0.47811 0.54227 1.00000
O13 O 0.86771 0.91145 0.18819 1.00000
O14 O 0.99287 0.83634 0.82712 1.00000
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