CeU3S4
Alexandria ALEXAlex-ID: agm006018441 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_8_spg65
CeU4S5 CeS
2023-10-20 03:31:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018441).
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
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# CIF generated by HEAS from Alexandria entry agm006018441
data_agm006018441
_cell_length_a 3.88140
_cell_length_b 6.77161
_cell_length_c 6.77160
_cell_angle_alpha 70.87798
_cell_angle_beta 90.00098
_cell_angle_gamma 90.00098
_cell_volume 168.15984
_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
S1 S 0.99996 0.75634 0.74375 1.00000
S2 S 0.49989 0.75337 0.25326 1.00000
S3 S 0.99996 0.24392 0.25616 1.00000
S4 S 0.50001 0.24683 0.74672 1.00000
U1 U 0.49996 0.00013 0.49996 1.00000
U2 U 0.99995 0.00010 0.99998 1.00000
U3 U 0.99995 0.50010 0.49999 1.00000
Ce1 Ce 0.49996 0.50013 0.99996 1.00000
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