Re2Mo
Alexandria ALEXAlex-ID: agm005509950 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_39_spg141
ReMo3 Re24Mo5
2023-04-20 08:12:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509950).
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 agm005509950
data_agm005509950
_cell_length_a 12.15153
_cell_length_b 12.15153
_cell_length_c 12.15153
_cell_angle_alpha 161.31683
_cell_angle_beta 161.31683
_cell_angle_gamma 26.54171
_cell_volume 184.05286
_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 0.75089 0.75089 0.00000 1.00000
Re2 Re 0.24911 0.24911 1.00000 1.00000
Re3 Re 0.00089 0.50089 0.50000 1.00000
Re4 Re 0.49911 0.99911 0.50000 1.00000
Re5 Re 0.58234 0.58234 0.00000 1.00000
Re6 Re 0.41766 0.41766 1.00000 1.00000
Re7 Re 0.83234 0.33234 0.50000 1.00000
Re8 Re 0.66766 0.16766 0.50000 1.00000
Mo1 Mo 0.91875 0.91875 1.00000 1.00000
Mo2 Mo 0.08125 0.08125 0.00000 1.00000
Mo3 Mo 0.16875 0.66875 0.50000 1.00000
Mo4 Mo 0.33125 0.83125 0.50000 1.00000
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