MgPd7Pt4
Alexandria ALEXAlex-ID: agm059705680 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_528_spg2
MgPd7 Mg2PdPt5 Pd3Pt2
2024-11-07 22:23:26.609171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059705680).
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 agm059705680
data_agm059705680
_cell_length_a 4.82969
_cell_length_b 5.60418
_cell_length_c 7.42456
_cell_angle_alpha 101.57984
_cell_angle_beta 109.24497
_cell_angle_gamma 89.84407
_cell_volume 185.42736
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50017 0.75041 0.00197 1.00000
Pd2 Pd 0.49983 0.24959 0.99803 1.00000
Pd3 Pd 0.66856 0.66823 0.67105 1.00000
Pd4 Pd 0.33144 0.33177 0.32895 1.00000
Pd5 Pd 0.16655 0.91857 0.66893 1.00000
Pd6 Pd 0.00000 0.50000 0.00000 1.00000
Pd7 Pd 0.83345 0.08143 0.33107 1.00000
Pt1 Pt 0.33569 0.83133 0.33248 1.00000
Pt2 Pt 0.66431 0.16867 0.66752 1.00000
Pt3 Pt 0.16427 0.41650 0.66691 1.00000
Pt4 Pt 0.83573 0.58350 0.33309 1.00000
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