Al10Zn(HgSe5)4
Alexandria ALEXAlex-ID: agm021031663 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10D20_1_spg1
Al2HgSe4 Al2ZnSe4
2025-03-09 10:40:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021031663).
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 agm021031663
data_agm021031663
_cell_length_a 5.81590
_cell_length_b 6.84340
_cell_length_c 25.71483
_cell_angle_alpha 92.56280
_cell_angle_beta 90.01613
_cell_angle_gamma 115.15124
_cell_volume 925.29145
_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 0.60702 0.21660 0.89674 1.00000
Al2 Al 0.19942 0.39801 0.29969 1.00000
Al3 Al 0.40414 0.80729 0.09724 1.00000
Al4 Al 0.79432 0.58917 0.70425 1.00000
Al5 Al 0.99489 0.98837 0.50196 1.00000
Al6 Al 0.31059 0.61334 0.94625 1.00000
Al7 Al 0.10350 0.20677 0.14832 1.00000
Al8 Al 0.89910 0.79720 0.35053 1.00000
Al9 Al 0.69592 0.38748 0.55252 1.00000
Al10 Al 0.49108 0.99554 0.75248 1.00000
Zn1 Zn 0.19472 0.39660 0.79996 1.00000
Hg1 Hg 0.01235 0.01830 0.99690 1.00000
Hg2 Hg 0.80345 0.60596 0.19929 1.00000
Hg3 Hg 0.59789 0.19581 0.40129 1.00000
Hg4 Hg 0.39215 0.78481 0.60298 1.00000
Se1 Se 0.48067 0.49559 0.11579 1.00000
Se2 Se 0.07187 0.67555 0.51936 1.00000
Se3 Se 0.27596 0.08567 0.31774 1.00000
Se4 Se 0.68585 0.90473 0.91417 1.00000
Se5 Se 0.88382 0.28405 0.72444 1.00000
Se6 Se 0.10904 0.68084 0.02327 1.00000
Se7 Se 0.69953 0.86183 0.42818 1.00000
Se8 Se 0.90379 0.27110 0.22598 1.00000
Se9 Se 0.29313 0.09115 0.82628 1.00000
Se10 Se 0.49931 0.45476 0.63040 1.00000
Se11 Se 0.00244 0.51691 0.87479 1.00000
Se12 Se 0.58317 0.71451 0.28135 1.00000
Se13 Se 0.78828 0.12384 0.07902 1.00000
Se14 Se 0.17319 0.90666 0.68347 1.00000
Se15 Se 0.37885 0.30458 0.48358 1.00000
Se16 Se 0.45605 0.34769 0.97228 1.00000
Se17 Se 0.03748 0.52473 0.37440 1.00000
Se18 Se 0.24237 0.93434 0.17196 1.00000
Se19 Se 0.60109 0.70511 0.77638 1.00000
Se20 Se 0.83357 0.11513 0.57676 1.00000
