RbPu2CoS4
Alexandria ALEXAlex-ID: agm004779136 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_514_spg63
Pu2S3 Rb2(PuS2)3 Co9S8 Co
2023-01-30 13:18:41.845138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004779136).
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 agm004779136
data_agm004779136
_cell_length_a 3.94619
_cell_length_b 7.24191
_cell_length_c 13.55803
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.81040
_cell_volume 372.80221
_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
Rb1 Rb 0.10003 0.20007 0.75000 1.00000
Rb2 Rb 0.89997 0.79993 0.25000 1.00000
Pu1 Pu 0.36588 0.73176 0.55737 1.00000
Pu2 Pu 0.63412 0.26824 0.05737 1.00000
Pu3 Pu 0.63412 0.26824 0.44263 1.00000
Pu4 Pu 0.36588 0.73176 0.94263 1.00000
Co1 Co 0.82827 0.65654 0.75000 1.00000
Co2 Co 0.17173 0.34346 0.25000 1.00000
S1 S 0.25797 0.51595 0.11076 1.00000
S2 S 0.74203 0.48405 0.61076 1.00000
S3 S 0.74203 0.48405 0.88924 1.00000
S4 S 0.25797 0.51595 0.38924 1.00000
S5 S 0.00000 0.00000 0.50000 1.00000
S6 S 0.00000 0.00000 0.00000 1.00000
S7 S 0.41358 0.82716 0.75000 1.00000
S8 S 0.58642 0.17284 0.25000 1.00000
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