Pm(Pd3Pt)3
Alexandria ALEXAlex-ID: agm006014546 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_17_spg12
PmPd2Pt3 Pd
2023-08-10 07:42:32.694669
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014546).
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 agm006014546
data_agm006014546
_cell_length_a 5.30753
_cell_length_b 6.98631
_cell_length_c 6.98501
_cell_angle_alpha 81.60840
_cell_angle_beta 67.67111
_cell_angle_gamma 67.41053
_cell_volume 221.20352
_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
Pd1 Pd 0.71760 0.78177 0.78218 1.00000
Pd2 Pd 0.28240 0.21823 0.21782 1.00000
Pd3 Pd 0.50022 0.21823 0.78218 1.00000
Pd4 Pd 0.49978 0.78177 0.21782 1.00000
Pd5 Pd 0.64884 0.34777 0.34769 1.00000
Pd6 Pd 0.35116 0.65223 0.65231 1.00000
Pd7 Pd 0.00346 0.65223 0.34769 1.00000
Pd8 Pd 0.99654 0.34777 0.65231 1.00000
Pd9 Pd 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.50000 0.00000 0.50000 1.00000
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