TaMn2V3(PO4)6
Alexandria ALEXAlex-ID: agm010979640 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Mn3V4(PO4)6 Mn5V2(P2O7)4 VPO4 TaPO5
2025-01-21 13:16:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010979640).
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 agm010979640
data_agm010979640
_cell_length_a 8.63718
_cell_length_b 8.63718
_cell_length_c 8.63718
_cell_angle_alpha 60.57926
_cell_angle_beta 60.57926
_cell_angle_gamma 60.57926
_cell_volume 461.57907
_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
Ta1 Ta 0.85682 0.85682 0.85682 1.00000
Mn1 Mn 0.00209 0.00209 0.00209 1.00000
Mn2 Mn 0.50097 0.50097 0.50097 1.00000
V1 V 0.14346 0.14346 0.14346 1.00000
V2 V 0.35818 0.35818 0.35818 1.00000
V3 V 0.64246 0.64246 0.64246 1.00000
P1 P 0.74915 0.04269 0.44997 1.00000
P2 P 0.04269 0.44997 0.74915 1.00000
P3 P 0.54070 0.25344 0.95925 1.00000
P4 P 0.95925 0.54070 0.25344 1.00000
P5 P 0.25344 0.95925 0.54070 1.00000
P6 P 0.44997 0.74915 0.04269 1.00000
O1 O 0.30824 0.11584 0.51164 1.00000
O2 O 0.51164 0.30824 0.11584 1.00000
O3 O 0.91189 0.05653 0.25871 1.00000
O4 O 0.11584 0.51164 0.30824 1.00000
O5 O 0.81913 0.99043 0.61394 1.00000
O6 O 0.59391 0.23648 0.44457 1.00000
O7 O 0.05653 0.25871 0.91189 1.00000
O8 O 0.23648 0.44457 0.59391 1.00000
O9 O 0.38988 0.18440 0.99738 1.00000
O10 O 0.44457 0.59391 0.23648 1.00000
O11 O 0.74094 0.08758 0.93769 1.00000
O12 O 0.99738 0.38988 0.18440 1.00000
O13 O 0.99043 0.61394 0.81913 1.00000
O14 O 0.25871 0.91189 0.05653 1.00000
O15 O 0.56382 0.40840 0.76254 1.00000
O16 O 0.61394 0.81913 0.99043 1.00000
O17 O 0.76254 0.56382 0.40840 1.00000
O18 O 0.93769 0.74094 0.08758 1.00000
O19 O 0.40840 0.76254 0.56382 1.00000
O20 O 0.18440 0.99738 0.38988 1.00000
O21 O 0.88741 0.49523 0.68389 1.00000
O22 O 0.08758 0.93769 0.74094 1.00000
O23 O 0.49523 0.68389 0.88741 1.00000
O24 O 0.68389 0.88741 0.49523 1.00000
