CoMo2Ir
Alexandria ALEXAlex-ID: agm005651119 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1259_spg140
MoIr Co3Mo Mo
2023-07-11 22:40:47.914462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651119).
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 agm005651119
data_agm005651119
_cell_length_a 5.42352
_cell_length_b 5.32636
_cell_length_c 5.32636
_cell_angle_alpha 71.91970
_cell_angle_beta 59.39472
_cell_angle_gamma 59.39473
_cell_volume 113.71122
_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
Co1 Co 0.75000 0.20859 0.29141 1.00000
Co2 Co 0.25000 0.79141 0.70859 1.00000
Mo1 Mo 0.20239 0.29761 0.79761 1.00000
Mo2 Mo 0.29761 0.70239 0.20239 1.00000
Mo3 Mo 0.79761 0.70239 0.20239 1.00000
Mo4 Mo 0.70239 0.29761 0.79761 1.00000
Ir1 Ir 0.25000 0.19501 0.30499 1.00000
Ir2 Ir 0.75000 0.80499 0.69501 1.00000
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