CsPrCuS3
Alexandria ALEXAlex-ID: agm002183571 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_0_spg63
CsPr2CuS4 CsPrS2 Cs2S5 CsCu3S2
2018-12-28 21:24:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002183571).
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 agm002183571
data_agm002183571
_cell_length_a 4.12664
_cell_length_b 7.93477
_cell_length_c 11.05910
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.08473
_cell_volume 349.64070
_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
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Cs1 Cs 0.26010 0.51995 0.75000 1.00000
Cs2 Cs 0.73990 0.48005 0.25000 1.00000
S1 S 0.95546 0.91060 0.75000 1.00000
S2 S 0.04454 0.08940 0.25000 1.00000
S3 S 0.38340 0.76711 0.42744 1.00000
S4 S 0.61660 0.23289 0.57256 1.00000
S5 S 0.61660 0.23289 0.92744 1.00000
S6 S 0.38340 0.76711 0.07256 1.00000
Cu1 Cu 0.53707 0.07321 0.75000 1.00000
Cu2 Cu 0.46293 0.92679 0.25000 1.00000
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