Sc6Al2Cd3Ir
Alexandria ALEXAlex-ID: agm044509077 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Sc3Al2Cd Sc2Al3Ir Sc11Ir4 ScCd
2024-08-05 07:14:23.287048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044509077).
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 agm044509077
data_agm044509077
_cell_length_a 7.49947
_cell_length_b 7.49947
_cell_length_c 8.59165
_cell_angle_alpha 58.47893
_cell_angle_beta 58.47893
_cell_angle_gamma 37.08734
_cell_volume 243.08328
_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 0.57505 0.57505 0.77336 1.00000
Sc2 Sc 0.76303 0.76303 0.23393 1.00000
Sc3 Sc 0.42495 0.42495 0.22664 1.00000
Sc4 Sc 0.91884 0.91884 0.76791 1.00000
Sc5 Sc 0.23697 0.23697 0.76607 1.00000
Sc6 Sc 0.08116 0.08116 0.23209 1.00000
Al1 Al 0.67203 0.67203 0.00014 1.00000
Al2 Al 0.32797 0.32797 0.99986 1.00000
Cd1 Cd 0.83235 0.83235 0.50895 1.00000
Cd2 Cd 0.16765 0.16765 0.49105 1.00000
Cd3 Cd 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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