Ni4Mo2Rh
Alexandria ALEXAlex-ID: agm003445697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_115_spg139
Ni3Mo MoRh2 Ni2Mo
2022-05-02 13:10:51.926794
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003445697).
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 agm003445697
data_agm003445697
_cell_length_a 6.20405
_cell_length_b 6.20401
_cell_length_c 4.95202
_cell_angle_alpha 128.02948
_cell_angle_beta 128.02739
_cell_angle_gamma 90.08455
_cell_volume 93.34430
_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
Ni1 Ni 0.69156 0.30846 0.00001 1.00000
Ni2 Ni 0.30850 0.69154 0.00005 1.00000
Ni3 Ni 0.31478 0.31477 0.01232 1.00000
Ni4 Ni 0.68521 0.68521 0.98766 1.00000
Mo1 Mo 0.75679 0.24325 0.50002 1.00000
Mo2 Mo 0.24318 0.75682 0.50002 1.00000
Rh1 Rh 0.99998 0.99994 0.99992 1.00000
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