Re4Mo2Ir3
Alexandria ALEXAlex-ID: agm005658175 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_694_spg15
MoIr Re3Ir Mo
2023-06-27 10:54:31.469921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658175).
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 agm005658175
data_agm005658175
_cell_length_a 5.12724
_cell_length_b 7.59114
_cell_length_c 7.59112
_cell_angle_alpha 107.04948
_cell_angle_beta 95.57552
_cell_angle_gamma 95.57555
_cell_volume 278.67544
_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
Re1 Re 0.55757 0.17677 0.02043 1.00000
Re2 Re 0.94243 0.97957 0.82323 1.00000
Re3 Re 0.44243 0.82323 0.97957 1.00000
Re4 Re 0.05757 0.02043 0.17677 1.00000
Re5 Re 0.86312 0.36009 0.37085 1.00000
Re6 Re 0.63688 0.62915 0.63991 1.00000
Re7 Re 0.13688 0.63991 0.62915 1.00000
Re8 Re 0.36312 0.37085 0.36009 1.00000
Mo1 Mo 0.65809 0.55281 0.16459 1.00000
Mo2 Mo 0.84191 0.83541 0.44719 1.00000
Mo3 Mo 0.34191 0.44719 0.83541 1.00000
Mo4 Mo 0.15809 0.16459 0.55281 1.00000
Ir1 Ir 0.05772 0.33426 0.05588 1.00000
Ir2 Ir 0.44228 0.94412 0.66574 1.00000
Ir3 Ir 0.94228 0.66574 0.94412 1.00000
Ir4 Ir 0.55772 0.05588 0.33426 1.00000
Ir5 Ir 0.75000 0.28456 0.71544 1.00000
Ir6 Ir 0.25000 0.71544 0.28456 1.00000
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