Ce3Pm(HoS2)4
Alexandria ALEXAlex-ID: agm049366162 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Ce3PmS4 CePm4S5 CeHo2S3
2025-01-01 09:45:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049366162).
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 agm049366162
data_agm049366162
_cell_length_a 7.94950
_cell_length_b 7.94950
_cell_length_c 7.94950
_cell_angle_alpha 59.35221
_cell_angle_beta 59.35221
_cell_angle_gamma 59.35221
_cell_volume 349.98806
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.00000 0.50000 0.00000 1.00000
Ce3 Ce 0.50000 0.00000 0.00000 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
S1 S 0.75459 0.25417 0.75459 1.00000
S2 S 0.75459 0.75459 0.25417 1.00000
S3 S 0.74548 0.74548 0.74548 1.00000
S4 S 0.25417 0.75459 0.75459 1.00000
S5 S 0.74583 0.24541 0.24541 1.00000
S6 S 0.25452 0.25452 0.25452 1.00000
S7 S 0.24541 0.24541 0.74583 1.00000
S8 S 0.24541 0.74583 0.24541 1.00000
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