Ca2MgCdHg6
Alexandria ALEXAlex-ID: agm004928862 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_716_spg2
CaCdHg2 CaHg3 MgHg
2022-07-26 23:47:20.234598
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004928862).
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 agm004928862
data_agm004928862
_cell_length_a 5.93483
_cell_length_b 9.22446
_cell_length_c 8.77574
_cell_angle_alpha 49.58283
_cell_angle_beta 65.71895
_cell_angle_gamma 100.66528
_cell_volume 253.13601
_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 0.80558 0.43169 0.29429 1.00000
Ca2 Ca 0.19443 0.56832 0.70571 1.00000
Mg1 Mg 1.00000 1.00000 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.21635 0.41885 0.46137 1.00000
Hg2 Hg 0.14249 0.94336 0.65317 1.00000
Hg3 Hg 0.50294 0.91866 0.88695 1.00000
Hg4 Hg 0.49706 0.08134 0.11306 1.00000
Hg5 Hg 0.85751 0.05664 0.34684 1.00000
Hg6 Hg 0.78365 0.58115 0.53863 1.00000
Get direct link