MoIr2OsRu4
Alexandria ALEXAlex-ID: agm004854875 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
OsRu5 MoIr2 OsRu2
2022-07-17 05:50:03.906965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004854875).
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 agm004854875
data_agm004854875
_cell_length_a 7.17574
_cell_length_b 7.17574
_cell_length_c 7.37874
_cell_angle_alpha 120.94145
_cell_angle_beta 120.94154
_cell_angle_gamma 87.83340
_cell_volume 265.91310
_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
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
Mo2 Mo 0.99999 0.00000 1.00000 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 0.50000 0.00000 0.50000 1.00000
Ir3 Ir 0.00000 0.00000 0.50000 1.00000
Ir4 Ir 0.50000 0.50000 1.00000 1.00000
Os1 Os 0.00000 0.50000 0.00001 1.00000
Os2 Os 1.00000 0.50000 0.49999 1.00000
Ru1 Ru 0.24234 0.75148 0.99690 1.00000
Ru2 Ru 0.74852 0.25766 0.50310 1.00000
Ru3 Ru 0.25148 0.74233 0.49690 1.00000
Ru4 Ru 0.75768 0.24853 0.00310 1.00000
Ru5 Ru 0.75486 0.74515 0.01015 1.00000
Ru6 Ru 0.75485 0.74514 0.48985 1.00000
Ru7 Ru 0.24515 0.25486 0.51015 1.00000
Ru8 Ru 0.24514 0.25485 0.98985 1.00000
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