Ho3In2(CuS4)2
Alexandria ALEXAlex-ID: agm009227946 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D8_45_spg12
InCuS2 InS Ho2S3 Cu
2024-05-05 20:50:20.931722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009227946).
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 agm009227946
data_agm009227946
_cell_length_a 7.65378
_cell_length_b 7.65378
_cell_length_c 12.42556
_cell_angle_alpha 83.96283
_cell_angle_beta 83.96283
_cell_angle_gamma 29.19985
_cell_volume 353.00463
_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 0.67260 0.67260 0.63391 1.00000
Ho2 Ho 0.32740 0.32740 0.36609 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
In1 In 0.43005 0.43005 0.72405 1.00000
In2 In 0.56995 0.56995 0.27595 1.00000
Cu1 Cu 0.06912 0.06912 0.80502 1.00000
Cu2 Cu 0.93088 0.93088 0.19498 1.00000
S1 S 0.91329 0.91329 0.88653 1.00000
S2 S 0.04369 0.04369 0.61664 1.00000
S3 S 0.95631 0.95631 0.38336 1.00000
S4 S 0.69752 0.69752 0.40015 1.00000
S5 S 0.30248 0.30248 0.59985 1.00000
S6 S 0.35361 0.35361 0.15232 1.00000
S7 S 0.64639 0.64639 0.84768 1.00000
S8 S 0.08671 0.08671 0.11347 1.00000
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