Ac3(ZnHg)4
Alexandria ALEXAlex-ID: agm005707377 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
AcHg2 AcZn4
2023-06-29 23:42:21.248808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707377).
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 agm005707377
data_agm005707377
_cell_length_a 4.89038
_cell_length_b 7.24758
_cell_length_c 9.08569
_cell_angle_alpha 113.50602
_cell_angle_beta 105.61224
_cell_angle_gamma 90.00000
_cell_volume 282.30209
_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 0.13904 0.13904 0.27808 1.00000
Ac2 Ac 0.86096 0.86096 0.72192 1.00000
Ac3 Ac 0.00000 0.50000 0.00000 1.00000
Zn1 Zn 0.33575 0.15284 0.67150 1.00000
Zn2 Zn 0.66425 0.48133 0.32850 1.00000
Zn3 Zn 0.66425 0.84716 0.32850 1.00000
Zn4 Zn 0.33575 0.51867 0.67150 1.00000
Hg1 Hg 0.21590 0.71590 0.43180 1.00000
Hg2 Hg 0.78410 0.28410 0.56820 1.00000
Hg3 Hg 0.50000 0.80274 0.00000 1.00000
Hg4 Hg 0.50000 0.19726 1.00000 1.00000
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