Sr3Cu2Ir
Alexandria ALEXAlex-ID: agm005745263 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
SrCu Sr2CuIr2 Sr4Ir
2023-08-29 16:02:31.069228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005745263).
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 agm005745263
data_agm005745263
_cell_length_a 4.37868
_cell_length_b 12.57991
_cell_length_c 12.37828
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 681.83768
_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 0.25000 0.37343 0.05947 1.00000
Sr2 Sr 0.75000 0.62657 0.94053 1.00000
Sr3 Sr 0.75000 0.87343 0.44053 1.00000
Sr4 Sr 0.25000 0.12657 0.55947 1.00000
Sr5 Sr 0.25000 0.70488 0.21461 1.00000
Sr6 Sr 0.75000 0.29512 0.78539 1.00000
Sr7 Sr 0.75000 0.20488 0.28539 1.00000
Sr8 Sr 0.25000 0.79512 0.71461 1.00000
Sr9 Sr 0.25000 0.45016 0.38745 1.00000
Sr10 Sr 0.75000 0.54984 0.61255 1.00000
Sr11 Sr 0.75000 0.95016 0.11255 1.00000
Sr12 Sr 0.25000 0.04984 0.88745 1.00000
Cu1 Cu 0.25000 0.68550 0.46416 1.00000
Cu2 Cu 0.75000 0.31450 0.53584 1.00000
Cu3 Cu 0.75000 0.18550 0.03584 1.00000
Cu4 Cu 0.25000 0.81450 0.96416 1.00000
Cu5 Cu 0.25000 0.02078 0.29276 1.00000
Cu6 Cu 0.75000 0.97922 0.70724 1.00000
Cu7 Cu 0.75000 0.52078 0.20724 1.00000
Cu8 Cu 0.25000 0.47922 0.79276 1.00000
Ir1 Ir 0.25000 0.13395 0.12606 1.00000
Ir2 Ir 0.75000 0.86605 0.87394 1.00000
Ir3 Ir 0.75000 0.63395 0.37394 1.00000
Ir4 Ir 0.25000 0.36605 0.62606 1.00000
