ErTl3Pb5
Alexandria ALEXAlex-ID: agm072160334 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1188_spg6
ErPb2 TlPb
2024-09-24 08:22:12.275046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072160334).
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 agm072160334
data_agm072160334
_cell_length_a 5.96781
_cell_length_b 6.16259
_cell_length_c 7.83171
_cell_angle_alpha 74.09716
_cell_angle_beta 80.95350
_cell_angle_gamma 83.81684
_cell_volume 272.92501
_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
Er1 Er 0.10957 0.00341 0.00080 1.00000
Tl1 Tl 0.88321 0.89040 0.44377 1.00000
Tl2 Tl 0.43026 0.66068 0.33631 1.00000
Tl3 Tl 0.79067 0.33470 0.66155 1.00000
Pb1 Pb 0.34271 0.10122 0.55749 1.00000
Pb2 Pb 0.99017 0.44730 0.20833 1.00000
Pb3 Pb 0.22933 0.55510 0.78977 1.00000
Pb4 Pb 0.55849 0.21387 0.10318 1.00000
Pb5 Pb 0.66187 0.79149 0.89636 1.00000
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