CrPd2Pt3
Alexandria ALEXAlex-ID: agm005695703 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_853_spg15
Pd CrPt3
2023-08-17 12:21:51.411642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695703).
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 agm005695703
data_agm005695703
_cell_length_a 5.47121
_cell_length_b 5.47444
_cell_length_c 6.96160
_cell_angle_alpha 100.83390
_cell_angle_beta 113.13843
_cell_angle_gamma 89.99999
_cell_volume 187.69134
_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
Cr1 Cr 0.24527 0.25000 0.00000 1.00000
Cr2 Cr 0.75473 0.75000 1.00000 1.00000
Pd1 Pd 0.33086 0.41535 0.67357 1.00000
Pd2 Pd 0.34271 0.91535 0.67357 1.00000
Pd3 Pd 0.65729 0.08465 0.32643 1.00000
Pd4 Pd 0.66914 0.58465 0.32643 1.00000
Pt1 Pt 0.27407 0.75000 1.00000 1.00000
Pt2 Pt 0.72593 0.25000 0.00000 1.00000
Pt3 Pt 0.85666 0.92988 0.70417 1.00000
Pt4 Pt 0.15249 0.57012 0.29583 1.00000
Pt5 Pt 0.84751 0.42988 0.70417 1.00000
Pt6 Pt 0.14334 0.07012 0.29583 1.00000
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