Ir4RuW
Alexandria ALEXAlex-ID: agm005751750 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1230_spg15
IrRu Ir3W
2023-07-31 05:15:57.835166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751750).
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 agm005751750
data_agm005751750
_cell_length_a 4.50601
_cell_length_b 5.47035
_cell_length_c 7.88781
_cell_angle_alpha 69.71075
_cell_angle_beta 89.99904
_cell_angle_gamma 89.99723
_cell_volume 182.36646
_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 0.75005 0.28644 0.42146 1.00000
Ir2 Ir 0.75006 0.10498 0.78949 1.00000
Ir3 Ir 0.25005 0.20790 0.57854 1.00000
Ir4 Ir 0.25006 0.39447 0.21051 1.00000
Ir5 Ir 0.24995 0.71356 0.57854 1.00000
Ir6 Ir 0.74995 0.79210 0.42146 1.00000
Ir7 Ir 0.24994 0.89502 0.21051 1.00000
Ir8 Ir 0.74994 0.60553 0.78949 1.00000
Ru1 Ru 0.25000 0.80425 0.89151 1.00000
Ru2 Ru 0.75000 0.19575 0.10849 1.00000
W1 W 0.25000 0.30353 0.89295 1.00000
W2 W 0.75000 0.69647 0.10705 1.00000
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