Mo2Pt5Rh4
Alexandria ALEXAlex-ID: agm005669176 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_526_spg12
Mo(PtRh)4 MoRh3 MoPt2
2023-06-22 07:49:42.750134
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669176).
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 agm005669176
data_agm005669176
_cell_length_a 2.76581
_cell_length_b 11.18755
_cell_length_c 9.50942
_cell_angle_alpha 142.63863
_cell_angle_beta 105.55049
_cell_angle_gamma 83.02849
_cell_volume 169.89468
_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 0.41079 0.58721 0.94306 1.00000
Mo2 Mo 0.58921 0.41279 0.05694 1.00000
Pt1 Pt 0.18383 0.76506 0.33597 1.00000
Pt2 Pt 0.81617 0.23494 0.66404 1.00000
Pt3 Pt 0.29218 0.36425 0.25909 1.00000
Pt4 Pt 0.50000 0.00000 0.00000 1.00000
Pt5 Pt 0.70781 0.63575 0.74091 1.00000
Rh1 Rh 0.85568 0.71115 0.54481 1.00000
Rh2 Rh 0.03633 0.93046 0.22520 1.00000
Rh3 Rh 0.14432 0.28885 0.45519 1.00000
Rh4 Rh 0.96367 0.06954 0.77480 1.00000
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