Pr3Ga3PdPt2
Alexandria ALEXAlex-ID: agm040404075 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
PrGaPt PrGaPd
2024-11-14 20:27:54.383797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040404075).
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 agm040404075
data_agm040404075
_cell_length_a 4.53540
_cell_length_b 7.23080
_cell_length_c 23.52608
_cell_angle_alpha 90.44442
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 771.50436
_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
Pr1 Pr 0.50000 0.47926 0.06563 1.00000
Pr2 Pr 0.50000 0.48625 0.39942 1.00000
Pr3 Pr 0.50000 0.48267 0.73267 1.00000
Pr4 Pr 0.50000 0.98039 0.10067 1.00000
Pr5 Pr 0.50000 0.98680 0.43437 1.00000
Pr6 Pr 0.50000 0.98286 0.76748 1.00000
Pr7 Pr 0.00000 0.52268 0.26740 1.00000
Pr8 Pr 0.00000 0.52221 0.60030 1.00000
Pr9 Pr 0.00000 0.51819 0.93351 1.00000
Pr10 Pr 0.00000 0.02148 0.23277 1.00000
Pr11 Pr 0.00000 0.01765 0.56598 1.00000
Pr12 Pr 0.00000 0.01376 0.89919 1.00000
Ga1 Ga 0.50000 0.32919 0.19188 1.00000
Ga2 Ga 0.50000 0.33376 0.52540 1.00000
Ga3 Ga 0.50000 0.33002 0.85870 1.00000
Ga4 Ga 0.50000 0.83121 0.30809 1.00000
Ga5 Ga 0.50000 0.82785 0.64140 1.00000
Ga6 Ga 0.50000 0.82379 0.97475 1.00000
Ga7 Ga 0.00000 0.66939 0.14099 1.00000
Ga8 Ga 0.00000 0.67358 0.47428 1.00000
Ga9 Ga 0.00000 0.66933 0.80756 1.00000
Ga10 Ga 0.00000 0.16778 0.02545 1.00000
Ga11 Ga 0.00000 0.17497 0.35893 1.00000
Ga12 Ga 0.00000 0.17134 0.69214 1.00000
Pd1 Pd 0.50000 0.21398 0.30109 1.00000
Pd2 Pd 0.50000 0.21186 0.63463 1.00000
Pd3 Pd 0.50000 0.20788 0.96809 1.00000
Pd4 Pd 0.50000 0.71168 0.19876 1.00000
Pt1 Pt 0.50000 0.71861 0.53202 1.00000
Pt2 Pt 0.50000 0.71521 0.86538 1.00000
Pt3 Pt 0.00000 0.78080 0.03219 1.00000
Pt4 Pt 0.00000 0.78752 0.36546 1.00000
Pt5 Pt 0.00000 0.78420 0.69897 1.00000
Pt6 Pt 0.00000 0.28239 0.13453 1.00000
Pt7 Pt 0.00000 0.28656 0.46829 1.00000
Pt8 Pt 0.00000 0.28288 0.80162 1.00000
