Al2GePd
Alexandria ALEXAlex-ID: agm002250996 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_935_spg2
Al3Pd2 Al21Pd8 Ge
2018-12-28 15:16:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002250996).
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
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# CIF generated by HEAS from Alexandria entry agm002250996
data_agm002250996
_cell_length_a 5.17706
_cell_length_b 5.28409
_cell_length_c 5.24154
_cell_angle_alpha 107.49114
_cell_angle_beta 105.00570
_cell_angle_gamma 93.95725
_cell_volume 130.40612
_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
Ge1 Ge 0.85825 0.74592 0.60354 1.00000
Ge2 Ge 0.14178 0.25408 0.39646 1.00000
Al1 Al 0.76473 0.66829 0.06212 1.00000
Al2 Al 0.66377 0.22281 0.47580 1.00000
Al3 Al 0.23530 0.33171 0.93788 1.00000
Al4 Al 0.33626 0.77719 0.52420 1.00000
Pd1 Pd 0.28386 0.85204 0.04949 1.00000
Pd2 Pd 0.71616 0.14796 0.95051 1.00000
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