Ca(Pd2Pt)4
Alexandria ALEXAlex-ID: agm003671789 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Pd3Pt2 CaPt3 Pd
2022-04-20 20:54:24.561087
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671789).
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 agm003671789
data_agm003671789
_cell_length_a 5.30311
_cell_length_b 6.98250
_cell_length_c 6.98250
_cell_angle_alpha 81.70876
_cell_angle_beta 67.68223
_cell_angle_gamma 67.68223
_cell_volume 221.26992
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 1.00000 0.34861 0.65139 1.00000
Pd2 Pd 0.00000 0.65139 0.34861 1.00000
Pd3 Pd 0.34861 0.65139 0.65139 1.00000
Pd4 Pd 0.65139 0.34861 0.34861 1.00000
Pd5 Pd 0.50000 0.78023 0.21977 1.00000
Pd6 Pd 0.50000 0.21977 0.78023 1.00000
Pd7 Pd 0.28023 0.21977 0.21977 1.00000
Pd8 Pd 0.71977 0.78023 0.78023 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Pt2 Pt 0.50000 0.00000 0.50000 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.50000 0.50000 0.00000 1.00000
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