MnV2Fe3(PO4)6
Alexandria ALEXAlex-ID: agm003243729 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Mn2V3Fe(PO4)6 VPO4 FePO4
2021-12-28 12:44:00.707254
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243729).
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 agm003243729
data_agm003243729
_cell_length_a 8.42887
_cell_length_b 8.42887
_cell_length_c 8.42887
_cell_angle_alpha 62.02040
_cell_angle_beta 62.02040
_cell_angle_gamma 62.02040
_cell_volume 442.57362
_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 0.14750 0.14750 0.14750 1.00000
V1 V 0.00111 0.00111 0.00111 1.00000
V2 V 0.50087 0.50087 0.50087 1.00000
Fe1 Fe 0.64681 0.64681 0.64681 1.00000
Fe2 Fe 0.85370 0.85370 0.85370 1.00000
Fe3 Fe 0.35322 0.35322 0.35322 1.00000
P1 P 0.55129 0.94979 0.24940 1.00000
P2 P 0.24940 0.55129 0.94979 1.00000
P3 P 0.94979 0.24940 0.55129 1.00000
P4 P 0.04793 0.74699 0.45387 1.00000
P5 P 0.74699 0.45387 0.04793 1.00000
P6 P 0.45387 0.04793 0.74699 1.00000
O1 O 0.32060 0.50372 0.10797 1.00000
O2 O 0.10797 0.32060 0.50372 1.00000
O3 O 0.50372 0.10797 0.32060 1.00000
O4 O 0.75663 0.93697 0.09723 1.00000
O5 O 0.40434 0.98240 0.17379 1.00000
O6 O 0.57095 0.74661 0.40352 1.00000
O7 O 0.09723 0.75663 0.93696 1.00000
O8 O 0.40352 0.57095 0.74661 1.00000
O9 O 0.00596 0.82204 0.60731 1.00000
O10 O 0.74661 0.40352 0.57095 1.00000
O11 O 0.05679 0.89837 0.25068 1.00000
O12 O 0.82204 0.60731 0.00596 1.00000
O13 O 0.17379 0.40434 0.98240 1.00000
O14 O 0.93697 0.09723 0.75663 1.00000
O15 O 0.25235 0.59646 0.43628 1.00000
O16 O 0.98240 0.17379 0.40434 1.00000
O17 O 0.59646 0.43628 0.25235 1.00000
O18 O 0.89837 0.25068 0.05679 1.00000
O19 O 0.43628 0.25235 0.59646 1.00000
O20 O 0.60731 0.00596 0.82204 1.00000
O21 O 0.25068 0.05679 0.89837 1.00000
O22 O 0.50316 0.89667 0.66673 1.00000
O23 O 0.89667 0.66673 0.50316 1.00000
O24 O 0.66673 0.50316 0.89667 1.00000
