La2Pr5Hg2
Alexandria ALEXAlex-ID: agm008737232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_220_spg12
LaPrHg Pr
2024-05-14 09:58:45.630808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008737232).
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 agm008737232
data_agm008737232
_cell_length_a 9.07895
_cell_length_b 9.07895
_cell_length_c 9.59006
_cell_angle_alpha 66.19929
_cell_angle_beta 66.19929
_cell_angle_gamma 24.29231
_cell_volume 296.19794
_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 0.54046 0.54046 0.14548 1.00000
La2 La 0.45954 0.45954 0.85452 1.00000
Pr1 Pr 0.66057 0.66057 0.54440 1.00000
Pr2 Pr 0.33943 0.33943 0.45560 1.00000
Pr3 Pr 0.78845 0.78845 0.82275 1.00000
Pr4 Pr 0.21155 0.21155 0.17725 1.00000
Pr5 Pr 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.86584 0.86584 0.16041 1.00000
Hg2 Hg 0.13416 0.13416 0.83959 1.00000
Get direct link