MnV3(PbO4)2
Alexandria ALEXAlex-ID: agm004670569 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_190_spg160
V2Pb3O8 MnV2O4 V2O3 PbO
2022-06-22 21:22:45.161321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004670569).
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 agm004670569
data_agm004670569
_cell_length_a 6.17494
_cell_length_b 6.17494
_cell_length_c 7.28379
_cell_angle_alpha 64.92005
_cell_angle_beta 64.92005
_cell_angle_gamma 60.00000
_cell_volume 209.74128
_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 0.95229 0.95229 0.14314 1.00000
V1 V 0.49539 0.99462 0.01460 1.00000
V2 V 0.99462 0.49539 0.01460 1.00000
V3 V 0.49539 0.49539 0.01460 1.00000
Pb1 Pb 0.12040 0.12040 0.63879 1.00000
Pb2 Pb 0.50996 0.50996 0.47013 1.00000
O1 O 0.27827 0.27827 0.16520 1.00000
O2 O 0.71216 0.71216 0.86351 1.00000
O3 O 0.21514 0.21514 0.86014 1.00000
O4 O 0.70958 0.21514 0.86014 1.00000
O5 O 0.21514 0.70958 0.86014 1.00000
O6 O 0.74642 0.30150 0.20567 1.00000
O7 O 0.30150 0.74642 0.20567 1.00000
O8 O 0.74642 0.74642 0.20567 1.00000
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