Ca2Ge3Pd5
Alexandria ALEXAlex-ID: agm003343095 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
CaGePd2 Ca4Ge9Pd13
2022-01-30 08:44:59.852324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003343095).
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 agm003343095
data_agm003343095
_cell_length_a 5.92966
_cell_length_b 8.53367
_cell_length_c 8.53367
_cell_angle_alpha 78.50157
_cell_angle_beta 69.66997
_cell_angle_gamma 69.66997
_cell_volume 378.17464
_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
Ca1 Ca 0.14238 0.58272 0.13253 1.00000
Ca2 Ca 0.64238 0.13253 0.58272 1.00000
Ca3 Ca 0.85762 0.41728 0.86747 1.00000
Ca4 Ca 0.35762 0.86747 0.41728 1.00000
Ge1 Ge 0.35914 0.53304 0.74869 1.00000
Ge2 Ge 0.85914 0.74869 0.53304 1.00000
Ge3 Ge 0.64086 0.46696 0.25131 1.00000
Ge4 Ge 0.14086 0.25131 0.46696 1.00000
Ge5 Ge 0.25000 0.00000 0.00000 1.00000
Ge6 Ge 0.75000 0.00000 0.00000 1.00000
Pd1 Pd 0.41059 0.26142 0.91741 1.00000
Pd2 Pd 0.91059 0.91741 0.26142 1.00000
Pd3 Pd 0.58941 0.73858 0.08259 1.00000
Pd4 Pd 0.08941 0.08259 0.73858 1.00000
Pd5 Pd 0.47134 0.77866 0.77866 1.00000
Pd6 Pd 0.52866 0.22134 0.22134 1.00000
Pd7 Pd 0.75000 0.50000 0.50000 1.00000
Pd8 Pd 0.25000 0.50000 0.50000 1.00000
Pd9 Pd 0.02866 0.22134 0.22134 1.00000
Pd10 Pd 0.97134 0.77866 0.77866 1.00000
