Sc5CdS8
Alexandria ALEXAlex-ID: agm006117567 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_44_spg216
Sc2CdS4 Sc2S3 Cd
2023-08-11 08:01:11.785852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117567).
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 agm006117567
data_agm006117567
_cell_length_a 7.62937
_cell_length_b 7.62937
_cell_length_c 7.62937
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 314.01527
_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
Sc2 Sc 0.62276 0.62276 0.13171 1.00000
Sc3 Sc 0.62276 0.62276 0.62276 1.00000
Sc4 Sc 0.13171 0.62276 0.62276 1.00000
Sc5 Sc 0.62276 0.13171 0.62276 1.00000
Cd1 Cd 0.25000 0.25000 0.25000 1.00000
S1 S 0.38526 0.84423 0.38526 1.00000
S2 S 0.84423 0.38526 0.38526 1.00000
S3 S 0.38526 0.38526 0.38526 1.00000
S4 S 0.38526 0.38526 0.84423 1.00000
S5 S 0.86750 0.86750 0.39749 1.00000
S6 S 0.39749 0.86750 0.86750 1.00000
S7 S 0.86750 0.86750 0.86750 1.00000
S8 S 0.86750 0.39749 0.86750 1.00000
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