Ho2Al2ZnS6O
Alexandria ALEXAlex-ID: agm011120791 · Space group: P-42_1m (#113)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E6_12_spg113
ZnS Al2ZnS4 Ho2S3 Al2O3
2024-12-23 07:19:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011120791).
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 agm011120791
data_agm011120791
_cell_length_a 9.07516
_cell_length_b 9.07516
_cell_length_c 5.96396
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 491.18271
_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
Ho1 Ho 0.15320 0.34680 0.49915 1.00000
Ho2 Ho 0.34680 0.84680 0.50085 1.00000
Ho3 Ho 0.65320 0.15320 0.50085 1.00000
Ho4 Ho 0.84680 0.65320 0.49915 1.00000
Al1 Al 0.37509 0.12491 0.90382 1.00000
Al2 Al 0.62491 0.87509 0.90382 1.00000
Al3 Al 0.12491 0.62491 0.09618 1.00000
Al4 Al 0.87509 0.37509 0.09618 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
S1 S 0.66859 0.43543 0.27243 1.00000
S2 S 0.33141 0.56457 0.27243 1.00000
S3 S 0.56457 0.66859 0.72757 1.00000
S4 S 0.43543 0.33141 0.72757 1.00000
S5 S 0.93543 0.16859 0.27243 1.00000
S6 S 0.16859 0.06457 0.72757 1.00000
S7 S 0.83141 0.93543 0.72757 1.00000
S8 S 0.06457 0.83141 0.27243 1.00000
S9 S 0.63067 0.86933 0.27799 1.00000
S10 S 0.86933 0.36933 0.72201 1.00000
S11 S 0.13067 0.63067 0.72201 1.00000
S12 S 0.36933 0.13067 0.27799 1.00000
O1 O 0.50000 0.00000 0.76551 1.00000
O2 O 0.00000 0.50000 0.23449 1.00000
