ZnCu4Hg(GeS4)2
Alexandria ALEXAlex-ID: agm010284053 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E8_12_spg5
HgS GeS2 Cu3GeS4 ZnS Hg
2024-12-12 08:04:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010284053).
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
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# CIF generated by HEAS from Alexandria entry agm010284053
data_agm010284053
_cell_length_a 6.58450
_cell_length_b 6.58450
_cell_length_c 10.89105
_cell_angle_alpha 65.56721
_cell_angle_beta 114.43279
_cell_angle_gamma 131.17250
_cell_volume 316.64567
_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
Zn1 Zn 0.00228 0.00228 0.00000 1.00000
Cu1 Cu 0.74976 0.25252 0.11961 1.00000
Cu2 Cu 0.75173 0.24840 0.63066 1.00000
Cu3 Cu 0.25252 0.74976 0.88039 1.00000
Cu4 Cu 0.24840 0.75173 0.36934 1.00000
Hg1 Hg 0.99571 0.99571 0.50000 1.00000
Ge1 Ge 0.50159 0.49830 0.24408 1.00000
Ge2 Ge 0.49830 0.50159 0.75592 1.00000
S1 S 0.14071 0.40877 0.29198 1.00000
S2 S 0.12902 0.38704 0.81077 1.00000
S3 S 0.62213 0.87351 0.06505 1.00000
S4 S 0.58160 0.85778 0.56981 1.00000
S5 S 0.87351 0.62213 0.93495 1.00000
S6 S 0.85778 0.58160 0.43019 1.00000
S7 S 0.40877 0.14071 0.70802 1.00000
S8 S 0.38704 0.12902 0.18923 1.00000
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