Pr7CdHg4
Alexandria ALEXAlex-ID: agm003666031 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
Pr6Cd5Hg Pr2Hg PrHg
2022-04-08 17:59:58.914936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666031).
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 agm003666031
data_agm003666031
_cell_length_a 5.96935
_cell_length_b 9.11862
_cell_length_c 8.08655
_cell_angle_alpha 68.18637
_cell_angle_beta 68.34041
_cell_angle_gamma 70.89402
_cell_volume 370.45953
_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 0.80995 0.89105 0.48905 1.00000
Pr2 Pr 0.19005 0.10895 0.51095 1.00000
Pr3 Pr 0.06578 0.60170 0.26674 1.00000
Pr4 Pr 0.93422 0.39830 0.73326 1.00000
Pr5 Pr 0.26897 0.68910 0.77296 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.73103 0.31090 0.22704 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.53284 0.29960 0.63472 1.00000
Hg2 Hg 0.46716 0.70040 0.36528 1.00000
Hg3 Hg 0.69525 0.65946 0.95004 1.00000
Hg4 Hg 0.30475 0.34054 0.04996 1.00000
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