Ca2GePdAu6
Alexandria ALEXAlex-ID: agm004921964 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
Ca4Ge3Au5 Ca(Ge2Pd3)2 Ca3Ge2Au9 Ca2Au7
2022-07-21 18:38:58.362680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921964).
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 agm004921964
data_agm004921964
_cell_length_a 6.66607
_cell_length_b 7.25379
_cell_length_c 6.68066
_cell_angle_alpha 80.57370
_cell_angle_beta 48.37197
_cell_angle_gamma 98.24392
_cell_volume 223.83858
_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 0.71572 0.19607 0.52302 1.00000
Ca2 Ca 0.28428 0.80394 0.47697 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 1.00000 1.00000 0.00000 1.00000
Au1 Au 0.21832 0.23327 0.48979 1.00000
Au2 Au 0.76140 0.59846 0.15247 1.00000
Au3 Au 0.28140 0.77027 0.01435 1.00000
Au4 Au 0.71860 0.22973 0.98566 1.00000
Au5 Au 0.23860 0.40154 0.84753 1.00000
Au6 Au 0.78168 0.76673 0.51021 1.00000
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