Ca3Cd3Hg8
Alexandria ALEXAlex-ID: agm005680847 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
CaCd6 CaHg3 Cd
2023-06-29 09:54:04.034024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680847).
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 agm005680847
data_agm005680847
_cell_length_a 4.81886
_cell_length_b 10.35321
_cell_length_c 9.20135
_cell_angle_alpha 124.23522
_cell_angle_beta 105.18022
_cell_angle_gamma 90.00000
_cell_volume 359.98225
_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
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Ca2 Ca 0.21655 0.21655 0.43309 1.00000
Ca3 Ca 0.78345 0.78345 0.56691 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.83632 1.00000 1.00000
Cd3 Cd 1.00000 0.16368 0.00000 1.00000
Hg1 Hg 0.35210 0.05124 0.70421 1.00000
Hg2 Hg 0.64790 0.94876 0.29579 1.00000
Hg3 Hg 0.35210 0.65297 0.70421 1.00000
Hg4 Hg 0.64790 0.34703 0.29579 1.00000
Hg5 Hg 0.14467 0.78198 0.28933 1.00000
Hg6 Hg 0.85533 0.21802 0.71067 1.00000
Hg7 Hg 0.14467 0.50735 0.28933 1.00000
Hg8 Hg 0.85533 0.49265 0.71067 1.00000
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