Y2UCuS5
Alexandria ALEXAlex-ID: agm005152355 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
US2 Y2S3 Cu
2023-01-19 13:53:28.682953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152355).
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 agm005152355
data_agm005152355
_cell_length_a 3.78669
_cell_length_b 8.86152
_cell_length_c 11.32288
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.33686
_cell_volume 371.17483
_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
Y1 Y 0.88275 0.76549 0.81135 1.00000
Y2 Y 0.09967 0.19934 0.68578 1.00000
Y3 Y 0.11725 0.23451 0.31135 1.00000
Y4 Y 0.90033 0.80066 0.18578 1.00000
U1 U 0.80171 0.60342 0.51065 1.00000
U2 U 0.19829 0.39658 0.01065 1.00000
Cu1 Cu 0.55988 0.11975 0.94927 1.00000
Cu2 Cu 0.44012 0.88025 0.44927 1.00000
S1 S 0.35959 0.71918 0.00555 1.00000
S2 S 0.67595 0.35190 0.84098 1.00000
S3 S 0.49473 0.98945 0.77660 1.00000
S4 S 0.29468 0.58936 0.68448 1.00000
S5 S 0.95221 0.90442 0.55932 1.00000
S6 S 0.64041 0.28082 0.50555 1.00000
S7 S 0.32405 0.64810 0.34098 1.00000
S8 S 0.50527 0.01055 0.27660 1.00000
S9 S 0.70532 0.41064 0.18448 1.00000
S10 S 0.04779 0.09558 0.05932 1.00000
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