Pm3Pd7Pt2
Alexandria ALEXAlex-ID: agm003352001 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Pm3Pd2Pt7 Pm2Pd5Pt
2022-02-03 01:23:49.213137
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003352001).
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 agm003352001
data_agm003352001
_cell_length_a 5.42277
_cell_length_b 5.42277
_cell_length_c 9.53531
_cell_angle_alpha 73.47987
_cell_angle_beta 73.47987
_cell_angle_gamma 60.00000
_cell_volume 229.37012
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.86130 0.86130 0.41608 1.00000
Pm3 Pm 0.13870 0.13870 0.58392 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.91806 0.41424 0.25346 1.00000
Pd3 Pd 0.41424 0.91806 0.25346 1.00000
Pd4 Pd 0.41424 0.41424 0.25346 1.00000
Pd5 Pd 0.08194 0.58576 0.74654 1.00000
Pd6 Pd 0.58576 0.58576 0.74654 1.00000
Pd7 Pd 0.58576 0.08194 0.74654 1.00000
Pt1 Pt 0.66704 0.66704 0.99887 1.00000
Pt2 Pt 0.33296 0.33296 0.00113 1.00000
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