Mn2SnPbO6
Alexandria ALEXAlex-ID: agm004949072 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Sn(PbO2)2 Mn2O3 SnO2
2022-07-30 16:57:09.492487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004949072).
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
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# CIF generated by HEAS from Alexandria entry agm004949072
data_agm004949072
_cell_length_a 5.43553
_cell_length_b 5.43555
_cell_length_c 5.89474
_cell_angle_alpha 62.53979
_cell_angle_beta 62.54177
_cell_angle_gamma 59.99986
_cell_volume 127.66944
_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 0.50917 0.50917 0.47246 1.00000
Mn2 Mn 0.02362 0.02364 0.92912 1.00000
Sn1 Sn 0.81683 0.81684 0.54951 1.00000
Pb1 Pb 0.28896 0.28897 0.13314 1.00000
O1 O 0.68277 0.24080 0.26067 1.00000
O2 O 0.24079 0.81575 0.26067 1.00000
O3 O 0.81575 0.68279 0.26067 1.00000
O4 O 0.41780 0.73857 0.71634 1.00000
O5 O 0.73860 0.12730 0.71629 1.00000
O6 O 0.12730 0.41778 0.71633 1.00000
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