Ce4US10
Alexandria ALEXAlex-ID: agm005999554 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Ce8US17 US3
2023-08-08 17:21:01.084596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999554).
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 agm005999554
data_agm005999554
_cell_length_a 6.54283
_cell_length_b 8.00724
_cell_length_c 8.00724
_cell_angle_alpha 80.39126
_cell_angle_beta 65.88575
_cell_angle_gamma 65.88575
_cell_volume 349.47682
_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
Ce1 Ce 0.40073 0.79913 0.39941 1.00000
Ce2 Ce 0.80014 0.60059 0.79913 1.00000
Ce3 Ce 0.19986 0.39941 0.20087 1.00000
Ce4 Ce 0.59927 0.20087 0.60059 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
S1 S 0.25000 0.50000 0.50000 1.00000
S2 S 0.65707 0.29361 0.90426 1.00000
S3 S 0.04932 0.09574 0.29361 1.00000
S4 S 0.43867 0.90426 0.70639 1.00000
S5 S 0.85494 0.70639 0.09574 1.00000
S6 S 0.34293 0.70639 0.09574 1.00000
S7 S 0.75000 0.50000 0.50000 1.00000
S8 S 0.14506 0.29361 0.90426 1.00000
S9 S 0.56133 0.09574 0.29361 1.00000
S10 S 0.95068 0.90426 0.70639 1.00000
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