Sc6CdCo2
Alexandria ALEXAlex-ID: agm005698554 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Sc10Cd3Co Sc12CdCo5 Sc2CdCo
2023-07-09 09:12:40.189088
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698554).
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 agm005698554
data_agm005698554
_cell_length_a 7.79304
_cell_length_b 7.79304
_cell_length_c 7.79304
_cell_angle_alpha 106.05396
_cell_angle_beta 110.55587
_cell_angle_gamma 111.85981
_cell_volume 363.31792
_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 0.52217 0.71319 0.80898 1.00000
Sc2 Sc 0.47783 0.28681 0.19102 1.00000
Sc3 Sc 0.09578 0.28681 0.80898 1.00000
Sc4 Sc 0.90422 0.71319 0.19102 1.00000
Sc5 Sc 0.78617 0.76639 0.55256 1.00000
Sc6 Sc 0.21383 0.23361 0.44744 1.00000
Sc7 Sc 0.21383 0.76639 0.98022 1.00000
Sc8 Sc 0.78617 0.23361 0.01978 1.00000
Sc9 Sc 0.70202 0.38870 0.68668 1.00000
Sc10 Sc 0.29798 0.61130 0.31332 1.00000
Sc11 Sc 0.29798 0.98465 0.68668 1.00000
Sc12 Sc 0.70202 0.01535 0.31332 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.38134 0.88134 1.00000
Co2 Co 0.50000 0.61866 0.11866 1.00000
Co3 Co 0.63062 0.00000 0.63062 1.00000
Co4 Co 0.36938 1.00000 0.36938 1.00000
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