MnNbCo(P2O7)2
Alexandria ALEXAlex-ID: agm011018532 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_13_spg1
Mn(PO3)2 MnCo2(PO4)2 MnCo(PO3)4 Co2P NbPO5
2024-04-23 07:07:19.392745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011018532).
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 agm011018532
data_agm011018532
_cell_length_a 5.03122
_cell_length_b 7.13284
_cell_length_c 8.52205
_cell_angle_alpha 90.14893
_cell_angle_beta 88.75062
_cell_angle_gamma 71.79072
_cell_volume 290.43079
_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 0.19863 0.30386 0.36687 1.00000
Nb1 Nb 0.77121 0.74454 0.50683 1.00000
Co1 Co 0.19600 0.28108 0.97818 1.00000
P1 P 0.61547 0.51984 0.17787 1.00000
P2 P 0.77022 0.11164 0.77685 1.00000
P3 P 0.23510 0.91372 0.27381 1.00000
P4 P 0.37216 0.49128 0.68719 1.00000
O1 O 0.00941 0.83218 0.34303 1.00000
O2 O 0.83460 0.92104 0.67448 1.00000
O3 O 0.81650 0.47247 0.04202 1.00000
O4 O 0.76658 0.51465 0.33934 1.00000
O5 O 0.53196 0.63986 0.64293 1.00000
O6 O 0.41350 0.95933 0.41015 1.00000
O7 O 0.43193 0.75333 0.15853 1.00000
O8 O 0.58202 0.27637 0.64710 1.00000
O9 O 0.58694 0.10956 0.91830 1.00000
O10 O 0.40725 0.40341 0.19260 1.00000
O11 O 0.25913 0.51561 0.85087 1.00000
O12 O 0.14635 0.51084 0.55670 1.00000
O13 O 0.11738 0.10762 0.18823 1.00000
O14 O 0.03484 0.16391 0.79927 1.00000
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