Sc(Cu4S3)2
Alexandria ALEXAlex-ID: agm072497130 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_69_spg148
Cu3S2 ScCuS2 Cu
2024-10-11 18:05:25.275413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072497130).
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 agm072497130
data_agm072497130
_cell_length_a 6.49809
_cell_length_b 6.66744
_cell_length_c 7.25711
_cell_angle_alpha 93.29188
_cell_angle_beta 114.78739
_cell_angle_gamma 116.47726
_cell_volume 243.68716
_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
Cu1 Cu 0.23880 0.81399 0.35338 1.00000
Cu2 Cu 0.76120 0.18601 0.64662 1.00000
Cu3 Cu 0.52993 0.56933 0.84625 1.00000
Cu4 Cu 0.58353 0.71198 0.53409 1.00000
Cu5 Cu 0.91025 0.13714 0.36075 1.00000
Cu6 Cu 0.47007 0.43067 0.15375 1.00000
Cu7 Cu 0.41647 0.28802 0.46591 1.00000
Cu8 Cu 0.08975 0.86286 0.63925 1.00000
S1 S 0.83505 0.77087 0.23964 1.00000
S2 S 0.14984 0.41711 0.24167 1.00000
S3 S 0.50785 0.90335 0.75747 1.00000
S4 S 0.16495 0.22913 0.76036 1.00000
S5 S 0.85016 0.58289 0.75833 1.00000
S6 S 0.49215 0.09665 0.24253 1.00000
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