Sr(Fe4Ir)2
Alexandria ALEXAlex-ID: agm012825403 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_296_spg12
SrIr2 Fe
2024-06-03 22:27:23.504183
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012825403).
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 agm012825403
data_agm012825403
_cell_length_a 9.78266
_cell_length_b 9.78266
_cell_length_c 4.16352
_cell_angle_alpha 89.99574
_cell_angle_beta 89.99574
_cell_angle_gamma 24.07793
_cell_volume 162.55926
_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 0.50000 0.50000 0.50000 1.00000
Fe1 Fe 0.63824 0.63824 0.99992 1.00000
Fe2 Fe 0.28806 0.28806 0.50005 1.00000
Fe3 Fe 0.21505 0.21505 0.99999 1.00000
Fe4 Fe 0.06719 0.06719 0.99996 1.00000
Fe5 Fe 0.78495 0.78495 0.00001 1.00000
Fe6 Fe 0.71194 0.71194 0.49995 1.00000
Fe7 Fe 0.36176 0.36176 0.00008 1.00000
Fe8 Fe 0.93281 0.93281 0.00004 1.00000
Ir1 Ir 0.13465 0.13465 0.49995 1.00000
Ir2 Ir 0.86535 0.86535 0.50005 1.00000
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