Ho2Ga(CuS3)2
Alexandria ALEXAlex-ID: agm011551902 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_1019_spg12
GaCu2S3 Ho2S3
2024-06-01 22:00:53.119572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011551902).
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 agm011551902
data_agm011551902
_cell_length_a 6.74814
_cell_length_b 6.78061
_cell_length_c 7.15844
_cell_angle_alpha 66.85908
_cell_angle_beta 61.42061
_cell_angle_gamma 60.00177
_cell_volume 243.95618
_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 0.83121 0.81844 0.52813 1.00000
Ho2 Ho 0.16879 0.18156 0.47187 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.77237 0.29970 0.92181 1.00000
Cu2 Cu 0.22763 0.70030 0.07819 1.00000
S1 S 0.08076 0.42365 0.74439 1.00000
S2 S 0.28731 0.83874 0.27693 1.00000
S3 S 0.60322 0.23715 0.27969 1.00000
S4 S 0.71269 0.16126 0.72307 1.00000
S5 S 0.39678 0.76285 0.72031 1.00000
S6 S 0.91924 0.57635 0.25561 1.00000
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