Y4FeNi(IrO6)2
Alexandria ALEXAlex-ID: agm011362281 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_3_spg1
YFeO3 Y2Ir2O7 NiO Y2O3 Ni
2024-05-04 16:59:10.336878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011362281).
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 agm011362281
data_agm011362281
_cell_length_a 5.32597
_cell_length_b 5.74596
_cell_length_c 7.67481
_cell_angle_alpha 89.34190
_cell_angle_beta 89.10141
_cell_angle_gamma 89.72462
_cell_volume 234.82389
_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
Y1 Y 0.97183 0.57524 0.24251 1.00000
Y2 Y 0.52394 0.08076 0.24163 1.00000
Y3 Y 0.02817 0.42476 0.75749 1.00000
Y4 Y 0.47606 0.91924 0.75837 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
O1 O 0.12223 0.95468 0.25157 1.00000
O2 O 0.37171 0.45453 0.25324 1.00000
O3 O 0.87777 0.04532 0.74843 1.00000
O4 O 0.62829 0.54547 0.74676 1.00000
O5 O 0.82113 0.30856 0.05630 1.00000
O6 O 0.68875 0.80650 0.43691 1.00000
O7 O 0.18763 0.70203 0.56607 1.00000
O8 O 0.32031 0.19124 0.94403 1.00000
O9 O 0.17887 0.69144 0.94370 1.00000
O10 O 0.31125 0.19350 0.56309 1.00000
O11 O 0.81237 0.29797 0.43393 1.00000
O12 O 0.67969 0.80876 0.05597 1.00000
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