Pr4Tl3Hg2
Alexandria ALEXAlex-ID: agm005667864 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Pr3Tl5 PrTl PrHg
2023-06-30 21:08:16.430617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667864).
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 agm005667864
data_agm005667864
_cell_length_a 5.34874
_cell_length_b 5.34629
_cell_length_c 10.81758
_cell_angle_alpha 90.01390
_cell_angle_beta 89.99816
_cell_angle_gamma 59.98681
_cell_volume 267.85957
_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
Pr1 Pr 0.66662 0.66675 0.88731 1.00000
Pr2 Pr 0.00007 0.99988 0.33154 1.00000
Pr3 Pr 0.99993 0.00012 0.66846 1.00000
Pr4 Pr 0.33338 0.33325 0.11269 1.00000
Tl1 Tl 0.33332 0.33336 0.44909 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.66668 0.66664 0.55091 1.00000
Hg1 Hg 0.33320 0.33358 0.79333 1.00000
Hg2 Hg 0.66680 0.66642 0.20667 1.00000
Get direct link