Sc6ZnCo2Ir3
Alexandria ALEXAlex-ID: agm045246967 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_242_spg12
Sc3Zn2Ir Sc3ZnIr2 Sc2CoIr
2024-11-08 22:00:35.984790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045246967).
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 agm045246967
data_agm045246967
_cell_length_a 7.88445
_cell_length_b 7.88445
_cell_length_c 7.88445
_cell_angle_alpha 146.42071
_cell_angle_beta 132.09660
_cell_angle_gamma 59.76792
_cell_volume 199.33628
_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 0.91610 0.67012 0.24599 1.00000
Sc2 Sc 0.57587 0.32988 0.24599 1.00000
Sc3 Sc 0.08390 0.32988 0.75401 1.00000
Sc4 Sc 0.25859 0.00000 0.25859 1.00000
Sc5 Sc 0.74141 0.00000 0.74141 1.00000
Sc6 Sc 0.42413 0.67012 0.75401 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.66627 0.16627 0.50000 1.00000
Co2 Co 0.33373 0.83373 0.50000 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.16459 0.16459 0.00000 1.00000
Ir3 Ir 0.83541 0.83541 0.00000 1.00000
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