HoU2CuS5
Alexandria ALEXAlex-ID: agm005157958 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
US2 U2S3 Ho2S3 Cu
2023-01-19 13:53:42.630729
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005157958).
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 agm005157958
data_agm005157958
_cell_length_a 3.74759
_cell_length_b 8.28672
_cell_length_c 11.77961
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.06877
_cell_volume 356.34407
_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 0.81906 0.63811 0.52628 1.00000
Ho2 Ho 0.18094 0.36189 0.02628 1.00000
U1 U 0.88564 0.77127 0.84902 1.00000
U2 U 0.11804 0.23608 0.69159 1.00000
U3 U 0.11436 0.22873 0.34902 1.00000
U4 U 0.88196 0.76392 0.19159 1.00000
Cu1 Cu 0.55062 0.10125 0.92239 1.00000
Cu2 Cu 0.44938 0.89875 0.42239 1.00000
S1 S 0.34747 0.69493 0.02031 1.00000
S2 S 0.68771 0.37542 0.85707 1.00000
S3 S 0.49365 0.98730 0.74855 1.00000
S4 S 0.30201 0.60401 0.69088 1.00000
S5 S 0.98732 0.97464 0.51788 1.00000
S6 S 0.65253 0.30507 0.52031 1.00000
S7 S 0.31229 0.62458 0.35707 1.00000
S8 S 0.50635 0.01270 0.24855 1.00000
S9 S 0.69799 0.39599 0.19088 1.00000
S10 S 0.01268 0.02536 0.01788 1.00000
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