Ac2ZnCdHg6
Alexandria ALEXAlex-ID: agm004938567 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_394_spg166
AcCdHg3 AcZn13 AcHg3 Hg
2022-08-06 05:42:10.229971
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004938567).
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 agm004938567
data_agm004938567
_cell_length_a 7.15457
_cell_length_b 7.15457
_cell_length_c 13.06935
_cell_angle_alpha 74.11451
_cell_angle_beta 74.11451
_cell_angle_gamma 60.00000
_cell_volume 549.66511
_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
Ac1 Ac 0.88933 0.88933 0.33202 1.00000
Ac2 Ac 0.11067 0.11067 0.66798 1.00000
Ac3 Ac 0.71851 0.71851 0.84446 1.00000
Ac4 Ac 0.28149 0.28149 0.15554 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.57433 0.57433 0.27701 1.00000
Cd2 Cd 0.42567 0.42567 0.72299 1.00000
Hg1 Hg 0.92400 0.33646 0.40309 1.00000
Hg2 Hg 0.33646 0.92400 0.40309 1.00000
Hg3 Hg 0.33646 0.33646 0.40309 1.00000
Hg4 Hg 0.07600 0.66354 0.59691 1.00000
Hg5 Hg 0.66354 0.07600 0.59691 1.00000
Hg6 Hg 0.66354 0.66354 0.59691 1.00000
Hg7 Hg 0.66451 0.21880 0.89789 1.00000
Hg8 Hg 0.21880 0.66451 0.89789 1.00000
Hg9 Hg 0.21880 0.21880 0.89789 1.00000
Hg10 Hg 0.33549 0.78120 0.10211 1.00000
Hg11 Hg 0.78120 0.33549 0.10211 1.00000
Hg12 Hg 0.78120 0.78120 0.10211 1.00000
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