Y(Ga2Pd)4
Alexandria ALEXAlex-ID: agm006073397 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_67_spg139
Ga7Pd3 Y4(Ga8Pd3)3 GaPd
2023-08-30 09:38:04.520371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006073397).
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 agm006073397
data_agm006073397
_cell_length_a 5.57267
_cell_length_b 6.85101
_cell_length_c 6.85101
_cell_angle_alpha 80.47906
_cell_angle_beta 66.00206
_cell_angle_gamma 66.00206
_cell_volume 218.29657
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.00000 0.34858 0.65142 1.00000
Ga2 Ga 1.00000 0.65142 0.34858 1.00000
Ga3 Ga 0.34858 0.65142 0.65142 1.00000
Ga4 Ga 0.65142 0.34858 0.34858 1.00000
Ga5 Ga 0.50000 0.78361 0.21639 1.00000
Ga6 Ga 0.50000 0.21639 0.78361 1.00000
Ga7 Ga 0.28361 0.21639 0.21639 1.00000
Ga8 Ga 0.71639 0.78361 0.78361 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.50000 0.00000 0.50000 1.00000
Pd3 Pd 0.00000 0.50000 0.00000 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
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