Zr2Tl2Pb
Alexandria ALEXAlex-ID: agm002952057 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
Zr5Pb3 Zr3Tl Tl
2016-12-09 09:43:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002952057).
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 agm002952057
data_agm002952057
_cell_length_a 4.20059
_cell_length_b 4.20059
_cell_length_c 7.95672
_cell_angle_alpha 74.69452
_cell_angle_beta 74.69452
_cell_angle_gamma 90.00000
_cell_volume 130.24693
_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
Tl1 Tl 0.75000 0.25000 0.50000 1.00000
Tl2 Tl 0.25000 0.75000 0.50000 1.00000
Zr1 Zr 0.40718 0.40718 0.18565 1.00000
Zr2 Zr 0.59282 0.59282 0.81435 1.00000
Get direct link