Y3Ga3PdPt2
Alexandria ALEXAlex-ID: agm040454944 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Y2Ga2PdPt YGaPt
2024-10-15 23:05:41.587309
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040454944).
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 agm040454944
data_agm040454944
_cell_length_a 4.46229
_cell_length_b 6.91459
_cell_length_c 23.13613
_cell_angle_alpha 90.30397
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 713.85354
_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
Y1 Y 0.50000 0.48810 0.06728 1.00000
Y2 Y 0.50000 0.48890 0.40077 1.00000
Y3 Y 0.50000 0.48917 0.73412 1.00000
Y4 Y 0.50000 0.98876 0.09915 1.00000
Y5 Y 0.50000 0.98815 0.43346 1.00000
Y6 Y 0.50000 0.98872 0.76649 1.00000
Y7 Y 0.00000 0.51453 0.26638 1.00000
Y8 Y 0.00000 0.51584 0.59920 1.00000
Y9 Y 0.00000 0.51649 0.93245 1.00000
Y10 Y 0.00000 0.01406 0.23374 1.00000
Y11 Y 0.00000 0.01126 0.56671 1.00000
Y12 Y 0.00000 0.01168 0.89991 1.00000
Ga1 Ga 0.50000 0.32186 0.19233 1.00000
Ga2 Ga 0.50000 0.32475 0.52570 1.00000
Ga3 Ga 0.50000 0.32501 0.85906 1.00000
Ga4 Ga 0.50000 0.82195 0.30792 1.00000
Ga5 Ga 0.50000 0.82112 0.64133 1.00000
Ga6 Ga 0.50000 0.82051 0.97464 1.00000
Ga7 Ga 0.00000 0.67817 0.14110 1.00000
Ga8 Ga 0.00000 0.67727 0.47425 1.00000
Ga9 Ga 0.00000 0.67778 0.80742 1.00000
Ga10 Ga 0.00000 0.17929 0.02514 1.00000
Ga11 Ga 0.00000 0.17846 0.35895 1.00000
Ga12 Ga 0.00000 0.17893 0.69200 1.00000
Pd1 Pd 0.50000 0.21747 0.30142 1.00000
Pd2 Pd 0.50000 0.21736 0.63486 1.00000
Pd3 Pd 0.50000 0.21723 0.96810 1.00000
Pd4 Pd 0.50000 0.71766 0.19847 1.00000
Pt1 Pt 0.50000 0.72255 0.53202 1.00000
Pt2 Pt 0.50000 0.72325 0.86527 1.00000
Pt3 Pt 0.00000 0.77720 0.03189 1.00000
Pt4 Pt 0.00000 0.77699 0.36516 1.00000
Pt5 Pt 0.00000 0.77790 0.69846 1.00000
Pt6 Pt 0.00000 0.27627 0.13497 1.00000
Pt7 Pt 0.00000 0.27740 0.46830 1.00000
Pt8 Pt 0.00000 0.27799 0.80158 1.00000
