CsHo2Cu3Se5
Alexandria ALEXAlex-ID: agm005284922 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D5_8_spg63
CsHo3Se5 Cu3Se2 Cs(CuSe)3 Cu
2022-12-13 02:55:53.229814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284922).
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 agm005284922
data_agm005284922
_cell_length_a 4.13900
_cell_length_b 7.61910
_cell_length_c 17.70458
_cell_angle_alpha 89.10489
_cell_angle_beta 90.00727
_cell_angle_gamma 105.77277
_cell_volume 537.22958
_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
Cs1 Cs 0.94321 0.88623 0.74718 1.00000
Cs2 Cs 0.05904 0.11703 0.25218 1.00000
Ho1 Ho 0.80944 0.61545 0.09030 1.00000
Ho2 Ho 0.18897 0.37808 0.58690 1.00000
Ho3 Ho 0.19642 0.39007 0.91008 1.00000
Ho4 Ho 0.80967 0.61997 0.41199 1.00000
Cu1 Cu 0.41644 0.83007 0.53008 1.00000
Cu2 Cu 0.33661 0.66977 0.22040 1.00000
Cu3 Cu 0.66954 0.33740 0.78166 1.00000
Cu4 Cu 0.59317 0.18027 0.03057 1.00000
Cu5 Cu 0.58242 0.16603 0.46841 1.00000
Cu6 Cu 0.41550 0.82588 0.96992 1.00000
Se1 Se 0.82934 0.65791 0.57045 1.00000
Se2 Se 0.16983 0.34029 0.42859 1.00000
Se3 Se 0.76732 0.53161 0.25078 1.00000
Se4 Se 0.55877 0.11779 0.60678 1.00000
Se5 Se 0.17138 0.33843 0.07004 1.00000
Se6 Se 0.43984 0.88003 0.39150 1.00000
Se7 Se 0.44223 0.88113 0.10736 1.00000
Se8 Se 0.56326 0.12417 0.89324 1.00000
Se9 Se 0.23608 0.47042 0.74832 1.00000
Se10 Se 0.83559 0.66739 0.93010 1.00000
