Mn2Nb(P2O7)2
Alexandria ALEXAlex-ID: agm011035010 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_54_spg1
MnP4 Nb2(PO4)3 Mn2P2O7 Mn(PO3)2
2024-04-23 05:57:59.794957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011035010).
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 agm011035010
data_agm011035010
_cell_length_a 5.10773
_cell_length_b 7.16366
_cell_length_c 8.73740
_cell_angle_alpha 88.86533
_cell_angle_beta 88.07189
_cell_angle_gamma 71.41479
_cell_volume 302.84425
_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 0.20439 0.30717 0.36978 1.00000
Mn2 Mn 0.18077 0.27483 0.97128 1.00000
Nb1 Nb 0.77388 0.74334 0.50534 1.00000
P1 P 0.62088 0.52636 0.18650 1.00000
P2 P 0.76121 0.10453 0.76890 1.00000
P3 P 0.23857 0.91760 0.28198 1.00000
P4 P 0.37202 0.48835 0.68068 1.00000
O1 O 0.01168 0.83922 0.34923 1.00000
O2 O 0.82765 0.91626 0.66994 1.00000
O3 O 0.81112 0.48300 0.04973 1.00000
O4 O 0.78083 0.52019 0.33957 1.00000
O5 O 0.53760 0.63106 0.63459 1.00000
O6 O 0.41550 0.95860 0.41369 1.00000
O7 O 0.43243 0.75932 0.16933 1.00000
O8 O 0.57177 0.27123 0.64260 1.00000
O9 O 0.58274 0.09871 0.90799 1.00000
O10 O 0.42192 0.40767 0.20690 1.00000
O11 O 0.26131 0.51313 0.84095 1.00000
O12 O 0.14751 0.51251 0.55493 1.00000
O13 O 0.12551 0.11291 0.19699 1.00000
O14 O 0.01791 0.16015 0.79026 1.00000
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