In4GePd7
Alexandria ALEXAlex-ID: agm003664561 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_92_spg12
In3Pd5 GePd2 InPd
2022-04-20 08:27:12.109334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664561).
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 agm003664561
data_agm003664561
_cell_length_a 4.79133
_cell_length_b 8.98953
_cell_length_c 5.92493
_cell_angle_alpha 78.12078
_cell_angle_beta 66.15044
_cell_angle_gamma 74.54417
_cell_volume 223.56840
_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
In1 In 0.58903 0.23205 0.58988 1.00000
In2 In 0.41097 0.76795 0.41012 1.00000
In3 In 0.76255 0.66776 0.80713 1.00000
In4 In 0.23745 0.33224 0.19287 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.80280 0.92581 0.46858 1.00000
Pd2 Pd 0.19720 0.07419 0.53142 1.00000
Pd3 Pd 0.08141 0.70707 0.13011 1.00000
Pd4 Pd 0.91859 0.29293 0.86989 1.00000
Pd5 Pd 0.36373 0.51510 0.75743 1.00000
Pd6 Pd 0.50000 0.00000 0.00000 1.00000
Pd7 Pd 0.63627 0.48490 0.24257 1.00000
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