Pt4Rh3W2
Alexandria ALEXAlex-ID: agm005630278 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1262_spg15
Pt6RhW2 Pt4Rh4W Rh3W
2023-06-28 01:56:54.917680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005630278).
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 agm005630278
data_agm005630278
_cell_length_a 6.91999
_cell_length_b 9.22771
_cell_length_c 6.91998
_cell_angle_alpha 56.10355
_cell_angle_beta 117.22992
_cell_angle_gamma 123.89646
_cell_volume 297.47958
_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 0.11129 0.47913 0.23579 1.00000
Pt2 Pt 0.23579 0.02087 0.11129 1.00000
Pt3 Pt 0.88871 0.52087 0.76421 1.00000
Pt4 Pt 0.76421 0.97913 0.88871 1.00000
Pt5 Pt 0.70766 0.10912 0.29602 1.00000
Pt6 Pt 0.29602 0.39088 0.70766 1.00000
Pt7 Pt 0.29234 0.89088 0.70398 1.00000
Pt8 Pt 0.70398 0.60912 0.29234 1.00000
Rh1 Rh 0.93398 0.93302 0.34038 1.00000
Rh2 Rh 0.34038 0.56698 0.93398 1.00000
Rh3 Rh 0.06602 0.06698 0.65962 1.00000
Rh4 Rh 0.65962 0.43302 0.06602 1.00000
Rh5 Rh 0.35315 0.25000 0.35315 1.00000
Rh6 Rh 0.64685 0.75000 0.64685 1.00000
W1 W 0.82129 0.30983 0.53185 1.00000
W2 W 0.53185 0.19017 0.82129 1.00000
W3 W 0.17871 0.69017 0.46815 1.00000
W4 W 0.46815 0.80983 0.17871 1.00000
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