La3(PrHg2)2
Alexandria ALEXAlex-ID: agm005641320 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Pr2Hg LaHg
2023-06-27 07:32:38.853522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641320).
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 agm005641320
data_agm005641320
_cell_length_a 5.45066
_cell_length_b 5.44590
_cell_length_c 10.55754
_cell_angle_alpha 90.05631
_cell_angle_beta 90.00099
_cell_angle_gamma 59.96994
_cell_volume 271.31869
_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
La1 La 0.33322 0.33340 0.42041 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.66678 0.66660 0.57959 1.00000
Pr1 Pr 0.33329 0.33345 0.79083 1.00000
Pr2 Pr 0.66671 0.66655 0.20917 1.00000
Hg1 Hg 0.66662 0.66673 0.89376 1.00000
Hg2 Hg 0.99980 0.00033 0.34364 1.00000
Hg3 Hg 0.00020 0.99967 0.65636 1.00000
Hg4 Hg 0.33338 0.33327 0.10624 1.00000
Get direct link