Mo3(PtRh2)2
Alexandria ALEXAlex-ID: agm005651577 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1086_spg2
Mo2PtRh MoRh3 MoPt2
2023-06-27 10:57:51.903568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651577).
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 agm005651577
data_agm005651577
_cell_length_a 5.48579
_cell_length_b 7.49704
_cell_length_c 8.74088
_cell_angle_alpha 79.80261
_cell_angle_beta 51.07612
_cell_angle_gamma 90.15533
_cell_volume 272.19196
_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 0.93939 0.98019 0.80677 1.00000
Mo2 Mo 0.64087 0.28012 0.86402 1.00000
Mo3 Mo 0.06061 0.01981 0.19323 1.00000
Mo4 Mo 0.35913 0.71988 0.13598 1.00000
Mo5 Mo 0.23265 0.49641 0.50220 1.00000
Mo6 Mo 0.76735 0.50359 0.49780 1.00000
Pt1 Pt 0.49635 0.81674 0.50902 1.00000
Pt2 Pt 0.08033 0.38040 0.16226 1.00000
Pt3 Pt 0.50365 0.18326 0.49098 1.00000
Pt4 Pt 0.91967 0.61960 0.83774 1.00000
Rh1 Rh 0.42422 0.97744 0.82549 1.00000
Rh2 Rh 0.15105 0.28567 0.84712 1.00000
Rh3 Rh 0.57578 0.02256 0.17451 1.00000
Rh4 Rh 0.84895 0.71433 0.15288 1.00000
Rh5 Rh 0.99956 0.81614 0.50076 1.00000
Rh6 Rh 0.57421 0.37767 0.17218 1.00000
Rh7 Rh 0.00044 0.18386 0.49924 1.00000
Rh8 Rh 0.42579 0.62233 0.82782 1.00000
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