Mn2PbO
Alexandria ALEXAlex-ID: agm002870529 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_33_spg122
Mn Pb MnO
2017-01-02 20:44:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002870529).
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 agm002870529
data_agm002870529
_cell_length_a 6.38993
_cell_length_b 6.38993
_cell_length_c 6.11606
_cell_angle_alpha 58.50733
_cell_angle_beta 58.50733
_cell_angle_gamma 90.00000
_cell_volume 168.30482
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.75000 0.25000 0.50000 1.00000
Mn1 Mn 0.49839 0.12500 0.25000 1.00000
Mn2 Mn 0.25161 0.62500 0.25000 1.00000
Mn3 Mn 0.37500 0.50161 0.75000 1.00000
Mn4 Mn 0.87500 0.74839 0.75000 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.25000 0.75000 0.50000 1.00000
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