MnV(PO3)4
Alexandria ALEXAlex-ID: agm022016499 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
Mn5V2(P2O7)4 Mn(PO3)2 V(PO3)3 MnP4
2025-01-26 21:51:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022016499).
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 agm022016499
data_agm022016499
_cell_length_a 7.45142
_cell_length_b 7.45142
_cell_length_c 10.31353
_cell_angle_alpha 66.75796
_cell_angle_beta 113.24204
_cell_angle_gamma 109.98491
_cell_volume 471.58579
_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 0.04496 0.04496 0.25000 1.00000
Mn2 Mn 0.95504 0.95504 0.75000 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.50000 0.00000 1.00000
P1 P 0.68398 0.29816 0.19167 1.00000
P2 P 0.29816 0.68398 0.30833 1.00000
P3 P 0.31602 0.70184 0.80833 1.00000
P4 P 0.70184 0.31602 0.69167 1.00000
P5 P 0.27343 0.26012 0.97620 1.00000
P6 P 0.26012 0.27343 0.52380 1.00000
P7 P 0.72657 0.73988 0.02380 1.00000
P8 P 0.73988 0.72657 0.47620 1.00000
O1 O 0.69168 0.53190 0.15314 1.00000
O2 O 0.53190 0.69168 0.34686 1.00000
O3 O 0.30832 0.46810 0.84686 1.00000
O4 O 0.46810 0.30832 0.65314 1.00000
O5 O 0.49831 0.22764 0.06060 1.00000
O6 O 0.22764 0.49831 0.43940 1.00000
O7 O 0.50169 0.77236 0.93940 1.00000
O8 O 0.77236 0.50169 0.56060 1.00000
O9 O 0.64864 0.19191 0.33747 1.00000
O10 O 0.19191 0.64864 0.16253 1.00000
O11 O 0.35136 0.80809 0.66253 1.00000
O12 O 0.80809 0.35136 0.83747 1.00000
O13 O 0.86828 0.28115 0.17143 1.00000
O14 O 0.28115 0.86828 0.32857 1.00000
O15 O 0.13172 0.71885 0.82857 1.00000
O16 O 0.71885 0.13172 0.67143 1.00000
O17 O 0.19402 0.29103 0.07944 1.00000
O18 O 0.29103 0.19402 0.42056 1.00000
O19 O 0.80598 0.70897 0.92056 1.00000
O20 O 0.70897 0.80598 0.57944 1.00000
O21 O 0.16057 0.09680 0.90809 1.00000
O22 O 0.09680 0.16057 0.59191 1.00000
O23 O 0.83943 0.90320 0.09191 1.00000
O24 O 0.90320 0.83943 0.40809 1.00000
