Ce2UMnS5
Alexandria ALEXAlex-ID: agm005159701 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_248_spg36
Ce2US5 Mn
2023-01-19 13:53:35.934837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159701).
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 agm005159701
data_agm005159701
_cell_length_a 3.84653
_cell_length_b 8.38473
_cell_length_c 12.01593
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.26042
_cell_volume 377.20709
_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 0.88261 0.76522 0.84713 1.00000
Ce2 Ce 0.12157 0.24314 0.69476 1.00000
Ce3 Ce 0.11739 0.23478 0.34713 1.00000
Ce4 Ce 0.87843 0.75686 0.19476 1.00000
U1 U 0.82043 0.64085 0.52259 1.00000
U2 U 0.17957 0.35915 0.02259 1.00000
Mn1 Mn 0.55528 0.11055 0.92502 1.00000
Mn2 Mn 0.44472 0.88945 0.42502 1.00000
S1 S 0.34455 0.68910 0.02021 1.00000
S2 S 0.69019 0.38039 0.85974 1.00000
S3 S 0.49676 0.99351 0.75339 1.00000
S4 S 0.30699 0.61399 0.68366 1.00000
S5 S 0.98681 0.97362 0.51746 1.00000
S6 S 0.65545 0.31090 0.52021 1.00000
S7 S 0.30981 0.61961 0.35974 1.00000
S8 S 0.50324 0.00649 0.25339 1.00000
S9 S 0.69301 0.38601 0.18366 1.00000
S10 S 0.01319 0.02638 0.01746 1.00000
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