Sc2U5S12
Alexandria ALEXAlex-ID: agm003370217 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
ScU8S17 Sc2S3 U2S3
2022-02-08 11:48:24.119497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370217).
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 agm003370217
data_agm003370217
_cell_length_a 7.07059
_cell_length_b 8.38118
_cell_length_c 8.66114
_cell_angle_alpha 105.47146
_cell_angle_beta 90.00000
_cell_angle_gamma 114.94912
_cell_volume 444.76530
_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
Sc1 Sc 0.74737 0.00000 0.00000 1.00000
Sc2 Sc 0.25263 0.00000 0.00000 1.00000
U1 U 0.30125 0.60251 0.64759 1.00000
U2 U 0.31614 0.63228 0.16222 1.00000
U3 U 0.00000 0.00000 0.50000 1.00000
U4 U 0.68386 0.36772 0.83778 1.00000
U5 U 0.69875 0.39749 0.35241 1.00000
S1 S 0.98994 0.97988 0.19722 1.00000
S2 S 0.08701 0.65081 0.90517 1.00000
S3 S 0.56381 0.65081 0.90517 1.00000
S4 S 0.10030 0.70146 0.43440 1.00000
S5 S 0.60116 0.70146 0.43440 1.00000
S6 S 0.49621 0.99241 0.77859 1.00000
S7 S 0.50379 0.00759 0.22141 1.00000
S8 S 0.89970 0.29854 0.56560 1.00000
S9 S 0.39884 0.29854 0.56560 1.00000
S10 S 0.91299 0.34919 0.09483 1.00000
S11 S 0.43619 0.34919 0.09483 1.00000
S12 S 0.01006 0.02012 0.80278 1.00000
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