MnNb3(PbO3)4
Alexandria ALEXAlex-ID: agm043426331 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_74_spg47
Nb10Pb14O39 Mn4Nb2O9 Pb
2024-10-15 16:20:05.571530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043426331).
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 agm043426331
data_agm043426331
_cell_length_a 11.84353
_cell_length_b 4.11949
_cell_length_c 5.88131
_cell_angle_alpha 89.53284
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.93517
_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 0.00000 0.04180 0.05296 1.00000
Nb1 Nb 0.25970 0.03647 0.51473 1.00000
Nb2 Nb 0.50000 0.00308 0.01562 1.00000
Nb3 Nb 0.74030 0.03647 0.51473 1.00000
Pb1 Pb 0.50000 0.56881 0.51619 1.00000
Pb2 Pb 0.78134 0.58084 0.02705 1.00000
Pb3 Pb 0.00000 0.60645 0.59188 1.00000
Pb4 Pb 0.21866 0.58084 0.02705 1.00000
O1 O 0.62033 0.98861 0.76385 1.00000
O2 O 0.85333 0.99744 0.26202 1.00000
O3 O 0.13582 0.97797 0.74502 1.00000
O4 O 0.38319 0.98377 0.27398 1.00000
O5 O 0.37967 0.98861 0.76385 1.00000
O6 O 0.61681 0.98377 0.27398 1.00000
O7 O 0.86418 0.97797 0.74502 1.00000
O8 O 0.14667 0.99744 0.26202 1.00000
O9 O 0.50000 0.49128 0.01592 1.00000
O10 O 0.73684 0.50240 0.51300 1.00000
O11 O 0.00000 0.53150 0.98605 1.00000
O12 O 0.26316 0.50240 0.51300 1.00000
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