U8CrS17
Alexandria ALEXAlex-ID: agm005262425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C17_0_spg12
U8CrS17
2023-05-10 23:37:03.608511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262425).
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 agm005262425
data_agm005262425
_cell_length_a 7.78559
_cell_length_b 7.78559
_cell_length_c 10.34482
_cell_angle_alpha 80.26512
_cell_angle_beta 80.26512
_cell_angle_gamma 64.64067
_cell_volume 555.17363
_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
U1 U 0.18094 0.69661 0.70080 1.00000
U2 U 0.30339 0.81906 0.29920 1.00000
U3 U 0.81906 0.30339 0.29920 1.00000
U4 U 0.69661 0.18094 0.70080 1.00000
U5 U 0.79591 0.79591 0.45571 1.00000
U6 U 0.20409 0.20409 0.54429 1.00000
U7 U 0.31884 0.31884 0.01728 1.00000
U8 U 0.68116 0.68116 0.98272 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
S1 S 0.17958 0.56738 0.46432 1.00000
S2 S 0.43262 0.82042 0.53568 1.00000
S3 S 0.82042 0.43262 0.53568 1.00000
S4 S 0.56738 0.17958 0.46432 1.00000
S5 S 0.05508 0.67843 0.97026 1.00000
S6 S 0.32157 0.94492 0.02974 1.00000
S7 S 0.94492 0.32157 0.02974 1.00000
S8 S 0.67843 0.05508 0.97026 1.00000
S9 S 0.78615 0.78615 0.72106 1.00000
S10 S 0.21385 0.21385 0.27894 1.00000
S11 S 0.94372 0.94372 0.22746 1.00000
S12 S 0.05628 0.05628 0.77254 1.00000
S13 S 0.70019 0.70019 0.24341 1.00000
S14 S 0.29981 0.29981 0.75659 1.00000
S15 S 0.47969 0.47969 0.16948 1.00000
S16 S 0.52031 0.52031 0.83052 1.00000
S17 S 0.00000 0.00000 0.50000 1.00000
