Sr2Zn5Ir3
Alexandria ALEXAlex-ID: agm003346567 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_104_spg72
SrZn3Ir2 SrZn3Ir Sr3Zn2Ir7
2022-02-02 15:15:17.229057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003346567).
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 agm003346567
data_agm003346567
_cell_length_a 6.03965
_cell_length_b 8.66079
_cell_length_c 8.66079
_cell_angle_alpha 74.25432
_cell_angle_beta 69.59354
_cell_angle_gamma 69.59354
_cell_volume 392.12339
_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
Sr1 Sr 0.13610 0.59505 0.13276 1.00000
Sr2 Sr 0.63610 0.13276 0.59505 1.00000
Sr3 Sr 0.86390 0.40495 0.86724 1.00000
Sr4 Sr 0.36390 0.86724 0.40495 1.00000
Zn1 Zn 0.40247 0.25927 0.93580 1.00000
Zn2 Zn 0.90247 0.93580 0.25927 1.00000
Zn3 Zn 0.59753 0.74073 0.06420 1.00000
Zn4 Zn 0.09753 0.06420 0.74073 1.00000
Zn5 Zn 0.46489 0.78511 0.78511 1.00000
Zn6 Zn 0.53511 0.21489 0.21489 1.00000
Zn7 Zn 0.75000 0.50000 0.50000 1.00000
Zn8 Zn 0.25000 0.50000 0.50000 1.00000
Zn9 Zn 0.03511 0.21489 0.21489 1.00000
Zn10 Zn 0.96489 0.78511 0.78511 1.00000
Ir1 Ir 0.35792 0.53787 0.74631 1.00000
Ir2 Ir 0.85792 0.74631 0.53787 1.00000
Ir3 Ir 0.64208 0.46214 0.25369 1.00000
Ir4 Ir 0.14208 0.25369 0.46214 1.00000
Ir5 Ir 0.25000 0.00000 0.00000 1.00000
Ir6 Ir 0.75000 0.00000 0.00000 1.00000
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