Pr4SnHg7
Alexandria ALEXAlex-ID: agm003666422 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_89_spg12
PrSn PrHg2 PrHg3
2022-04-20 15:53:22.549524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666422).
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 agm003666422
data_agm003666422
_cell_length_a 5.45354
_cell_length_b 9.15365
_cell_length_c 8.04060
_cell_angle_alpha 71.48656
_cell_angle_beta 70.17639
_cell_angle_gamma 72.66916
_cell_volume 349.82447
_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 0.56637 0.24604 0.62122 1.00000
Pr2 Pr 0.43363 0.75396 0.37878 1.00000
Pr3 Pr 0.73722 0.72062 0.80495 1.00000
Pr4 Pr 0.26278 0.27938 0.19505 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.81583 0.96212 0.40622 1.00000
Hg2 Hg 0.18417 0.03788 0.59378 1.00000
Hg3 Hg 0.08732 0.64741 0.17796 1.00000
Hg4 Hg 0.91268 0.35259 0.82204 1.00000
Hg5 Hg 0.33204 0.54430 0.79163 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.66796 0.45570 0.20837 1.00000
Get direct link