Mo4Pt2Rh3
Alexandria ALEXAlex-ID: agm005653796 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_847_spg12
Mo2PtRh MoRh3 MoPt2
2023-06-27 10:45:53.606779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653796).
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 agm005653796
data_agm005653796
_cell_length_a 3.91867
_cell_length_b 4.85197
_cell_length_c 8.19713
_cell_angle_alpha 74.16828
_cell_angle_beta 76.17087
_cell_angle_gamma 66.18262
_cell_volume 135.69460
_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 0.66669 0.55434 0.11230 1.00000
Mo2 Mo 0.00781 0.32306 0.66132 1.00000
Mo3 Mo 0.99219 0.67694 0.33868 1.00000
Mo4 Mo 0.33331 0.44566 0.88770 1.00000
Pt1 Pt 0.33303 0.11750 0.21644 1.00000
Pt2 Pt 0.66697 0.88250 0.78356 1.00000
Rh1 Rh 0.33504 0.77045 0.55947 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.66496 0.22955 0.44053 1.00000
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