Pt9Rh2
Alexandria ALEXAlex-ID: agm014332998 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_72_spg2
Pt3Rh2 Pt
2024-09-13 12:41:39.457561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014332998).
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 agm014332998
data_agm014332998
_cell_length_a 4.84720
_cell_length_b 4.82963
_cell_length_c 7.38253
_cell_angle_alpha 89.92713
_cell_angle_beta 96.23814
_cell_angle_gamma 99.65723
_cell_volume 169.34334
_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
Pt1 Pt 0.45215 0.40900 0.81714 1.00000
Pt2 Pt 0.08950 0.68209 0.36519 1.00000
Pt3 Pt 0.63752 0.77492 0.54674 1.00000
Pt4 Pt 0.27286 0.04469 0.09067 1.00000
Pt5 Pt 0.36248 0.22508 0.45326 1.00000
Pt6 Pt 0.91050 0.31791 0.63481 1.00000
Pt7 Pt 0.54785 0.59100 0.18286 1.00000
Pt8 Pt 0.72714 0.95531 0.90933 1.00000
Pt9 Pt 0.00000 0.50000 0.00000 1.00000
Rh1 Rh 0.18157 0.86387 0.72735 1.00000
Rh2 Rh 0.81843 0.13613 0.27265 1.00000
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