Cs2UAsS5
Alexandria ALEXAlex-ID: agm005159286 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
CsUAsS4 Cs2US4 Cs3As7S12 Cs5As5S9
2023-01-19 13:53:16.099156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159286).
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 agm005159286
data_agm005159286
_cell_length_a 4.27193
_cell_length_b 9.83469
_cell_length_c 15.25511
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.54385
_cell_volume 625.61548
_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 0.86191 0.72381 0.81414 1.00000
Cs2 Cs 0.10481 0.20963 0.65618 1.00000
Cs3 Cs 0.13809 0.27619 0.31414 1.00000
Cs4 Cs 0.89519 0.79037 0.15618 1.00000
U1 U 0.80055 0.60109 0.53159 1.00000
U2 U 0.19945 0.39891 0.03159 1.00000
As1 As 0.55308 0.10617 0.93328 1.00000
As2 As 0.44692 0.89383 0.43328 1.00000
S1 S 0.32376 0.64752 0.99273 1.00000
S2 S 0.67496 0.34991 0.91636 1.00000
S3 S 0.51206 0.02412 0.80050 1.00000
S4 S 0.28943 0.57885 0.63752 1.00000
S5 S 0.93423 0.86847 0.54167 1.00000
S6 S 0.67624 0.35248 0.49273 1.00000
S7 S 0.32504 0.65009 0.41636 1.00000
S8 S 0.48794 0.97588 0.30050 1.00000
S9 S 0.71057 0.42115 0.13752 1.00000
S10 S 0.06577 0.13153 0.04167 1.00000
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