Mn3Tl(PbO4)2
Alexandria ALEXAlex-ID: agm004670525 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_187_spg160
Tl15PbO24 Tl4O3 Mn2O3 PbO
2022-06-22 19:55:04.824735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004670525).
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 agm004670525
data_agm004670525
_cell_length_a 6.11787
_cell_length_b 6.11787
_cell_length_c 7.28237
_cell_angle_alpha 65.16247
_cell_angle_beta 65.16247
_cell_angle_gamma 60.00000
_cell_volume 206.42578
_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 0.49948 0.00033 0.00071 1.00000
Mn2 Mn 0.00033 0.49948 0.00071 1.00000
Mn3 Mn 0.49948 0.49948 0.00071 1.00000
Tl1 Tl 0.87364 0.87364 0.37909 1.00000
Pb1 Pb 0.11305 0.11305 0.66084 1.00000
Pb2 Pb 0.51340 0.51340 0.45979 1.00000
O1 O 0.28034 0.28034 0.15899 1.00000
O2 O 0.71896 0.71896 0.84312 1.00000
O3 O 0.23667 0.23667 0.83642 1.00000
O4 O 0.69024 0.23667 0.83642 1.00000
O5 O 0.23667 0.69024 0.83642 1.00000
O6 O 0.75851 0.31339 0.16959 1.00000
O7 O 0.31339 0.75851 0.16959 1.00000
O8 O 0.75851 0.75851 0.16959 1.00000
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