Al2Zn3Cu2HgSe8
Alexandria ALEXAlex-ID: agm010735544 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E8_17_spg1
AlZn2CuSe4 AlCuSe2 HgSe
2024-04-21 06:36:42.135447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010735544).
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 agm010735544
data_agm010735544
_cell_length_a 6.67604
_cell_length_b 7.01353
_cell_length_c 8.10954
_cell_angle_alpha 90.11512
_cell_angle_beta 90.06144
_cell_angle_gamma 90.05698
_cell_volume 379.70810
_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
Al1 Al 0.50210 0.66916 0.49642 1.00000
Al2 Al 0.99971 0.32922 0.00424 1.00000
Zn1 Zn 0.00321 0.83208 0.24917 1.00000
Zn2 Zn 0.50355 0.17432 0.74782 1.00000
Zn3 Zn 0.50186 0.16743 0.25089 1.00000
Cu1 Cu 0.00625 0.33892 0.49060 1.00000
Cu2 Cu 0.50008 0.65372 0.00912 1.00000
Hg1 Hg 0.00963 0.83607 0.75232 1.00000
Se1 Se 0.86441 0.65671 0.48523 1.00000
Se2 Se 0.36542 0.32972 0.00093 1.00000
Se3 Se 0.37198 0.34316 0.49810 1.00000
Se4 Se 0.86549 0.64820 0.01533 1.00000
Se5 Se 0.41184 0.82769 0.75289 1.00000
Se6 Se 0.37711 0.82997 0.25112 1.00000
Se7 Se 0.87682 0.19787 0.74688 1.00000
Se8 Se 0.87813 0.16573 0.24893 1.00000
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