CoIrO4
Alexandria ALEXAlex-ID: agm002364064 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_22_spg109
CoIrO4
2019-02-28 07:09:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002364064).
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
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# CIF generated by HEAS from Alexandria entry agm002364064
data_agm002364064
_cell_length_a 5.46148
_cell_length_b 5.46148
_cell_length_c 5.46103
_cell_angle_alpha 109.32458
_cell_angle_beta 109.32446
_cell_angle_gamma 109.76874
_cell_volume 125.38462
_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
Ir1 Ir 0.24534 0.74534 0.50000 1.00000
Ir2 Ir 0.49534 0.49534 0.00000 1.00000
Co1 Co 0.75857 0.25858 0.50000 1.00000
Co2 Co 0.00857 0.00857 0.00000 1.00000
O1 O 0.45261 0.25491 0.19783 1.00000
O2 O 0.93811 0.74324 0.19496 1.00000
O3 O 0.00478 0.30708 0.30218 1.00000
O4 O 0.49315 0.79829 0.30505 1.00000
O5 O 0.00491 0.70261 0.69782 1.00000
O6 O 0.49324 0.18810 0.69495 1.00000
O7 O 0.05708 0.25478 0.80218 1.00000
O8 O 0.54829 0.74315 0.80504 1.00000
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