ScU8S17
Alexandria ALEXAlex-ID: agm005243587 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C17_0_spg12
ScU8S17
2023-05-10 22:52:56.179912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243587).
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 agm005243587
data_agm005243587
_cell_length_a 7.84293
_cell_length_b 7.84293
_cell_length_c 10.47727
_cell_angle_alpha 80.41374
_cell_angle_beta 80.41374
_cell_angle_gamma 64.72039
_cell_volume 571.31680
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.20479 0.20479 0.54038 1.00000
U2 U 0.79521 0.79521 0.45962 1.00000
U3 U 0.30214 0.81685 0.30197 1.00000
U4 U 0.81685 0.30214 0.30197 1.00000
U5 U 0.18315 0.69786 0.69803 1.00000
U6 U 0.31920 0.31920 0.01658 1.00000
U7 U 0.68080 0.68080 0.98342 1.00000
U8 U 0.69786 0.18315 0.69803 1.00000
S1 S 0.52097 0.52097 0.82996 1.00000
S2 S 0.30282 0.30282 0.75295 1.00000
S3 S 0.43198 0.82172 0.53439 1.00000
S4 S 0.94222 0.33021 0.03786 1.00000
S5 S 0.78840 0.78840 0.72100 1.00000
S6 S 0.56802 0.17828 0.46561 1.00000
S7 S 0.47903 0.47903 0.17004 1.00000
S8 S 0.33021 0.94222 0.03786 1.00000
S9 S 0.06171 0.06171 0.76419 1.00000
S10 S 0.93829 0.93829 0.23581 1.00000
S11 S 0.69718 0.69718 0.24705 1.00000
S12 S 0.66979 0.05778 0.96214 1.00000
S13 S 0.17828 0.56802 0.46561 1.00000
S14 S 0.05778 0.66979 0.96214 1.00000
S15 S 0.82172 0.43198 0.53439 1.00000
S16 S 0.00000 0.00000 0.50000 1.00000
S17 S 0.21160 0.21160 0.27900 1.00000
