Pr3Cd3Hg8
Alexandria ALEXAlex-ID: agm005695754 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
PrCdHg2 Hg
2023-06-29 09:58:32.509679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695754).
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 agm005695754
data_agm005695754
_cell_length_a 5.02038
_cell_length_b 9.78322
_cell_length_c 9.07031
_cell_angle_alpha 122.63592
_cell_angle_beta 106.06622
_cell_angle_gamma 90.00000
_cell_volume 354.31900
_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 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.21487 0.21487 0.42974 1.00000
Pr3 Pr 0.78513 0.78513 0.57026 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.84140 1.00000 1.00000
Cd3 Cd 1.00000 0.15860 0.00000 1.00000
Hg1 Hg 0.35175 0.05973 0.70350 1.00000
Hg2 Hg 0.64825 0.94027 0.29650 1.00000
Hg3 Hg 0.35175 0.64377 0.70350 1.00000
Hg4 Hg 0.64825 0.35623 0.29650 1.00000
Hg5 Hg 0.14521 0.78694 0.29042 1.00000
Hg6 Hg 0.85479 0.21306 0.70958 1.00000
Hg7 Hg 0.14521 0.50348 0.29042 1.00000
Hg8 Hg 0.85479 0.49652 0.70958 1.00000
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