Sc4ZnIr
Alexandria ALEXAlex-ID: agm005461568 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_12_spg216
Sc2Zn Sc11Ir4 ScZn
2023-03-21 20:17:23.368453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461568).
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 agm005461568
data_agm005461568
_cell_length_a 5.48964
_cell_length_b 5.48964
_cell_length_c 5.48964
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 116.98137
_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 0.37316 0.88053 0.37316 1.00000
Sc2 Sc 0.88053 0.37316 0.37316 1.00000
Sc3 Sc 0.37316 0.37316 0.88053 1.00000
Sc4 Sc 0.37316 0.37316 0.37316 1.00000
Zn1 Zn 0.75000 0.75000 0.75000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Get direct link