Pm(Cd4Hg3)2
Alexandria ALEXAlex-ID: agm072298362 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_381_spg148
PmCdHg2 Hg Cd
2024-10-05 15:19:33.147752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072298362).
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 agm072298362
data_agm072298362
_cell_length_a 7.44373
_cell_length_b 7.44373
_cell_length_c 7.44373
_cell_angle_alpha 73.44989
_cell_angle_beta 73.44989
_cell_angle_gamma 73.44989
_cell_volume 369.55308
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.20338 0.20338 0.20338 1.00000
Cd2 Cd 0.79662 0.79662 0.79662 1.00000
Cd3 Cd 0.82285 0.15822 0.48121 1.00000
Cd4 Cd 0.48121 0.82285 0.15822 1.00000
Cd5 Cd 0.15822 0.48121 0.82285 1.00000
Cd6 Cd 0.17715 0.84178 0.51879 1.00000
Cd7 Cd 0.51879 0.17715 0.84178 1.00000
Cd8 Cd 0.84178 0.51879 0.17715 1.00000
Hg1 Hg 0.18930 0.58538 0.27136 1.00000
Hg2 Hg 0.27136 0.18930 0.58538 1.00000
Hg3 Hg 0.58538 0.27136 0.18930 1.00000
Hg4 Hg 0.81070 0.41462 0.72864 1.00000
Hg5 Hg 0.72864 0.81070 0.41462 1.00000
Hg6 Hg 0.41462 0.72864 0.81070 1.00000
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