Ca3In3PdAu2
Alexandria ALEXAlex-ID: agm040444062 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Ca3In3PdAu2
2025-03-10 17:38:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040444062).
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 agm040444062
data_agm040444062
_cell_length_a 7.39502
_cell_length_b 4.47024
_cell_length_c 26.16142
_cell_angle_alpha 90.00000
_cell_angle_beta 90.08348
_cell_angle_gamma 90.00000
_cell_volume 864.83064
_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 0.46677 0.50000 0.93896 1.00000
Ca2 Ca 0.46333 0.50000 0.60882 1.00000
Ca3 Ca 0.46423 0.50000 0.27402 1.00000
Ca4 Ca 0.96746 0.50000 0.89187 1.00000
Ca5 Ca 0.96682 0.50000 0.56241 1.00000
Ca6 Ca 0.96887 0.50000 0.22707 1.00000
Ca7 Ca 0.53300 0.00000 0.72739 1.00000
Ca8 Ca 0.52941 0.00000 0.39321 1.00000
Ca9 Ca 0.53069 0.00000 0.05850 1.00000
Ca10 Ca 0.03376 0.00000 0.77328 1.00000
Ca11 Ca 0.03445 0.00000 0.43980 1.00000
Ca12 Ca 0.03562 0.00000 0.10533 1.00000
In1 In 0.35678 0.50000 0.81072 1.00000
In2 In 0.34524 0.50000 0.47855 1.00000
In3 In 0.34606 0.50000 0.14408 1.00000
In4 In 0.85471 0.50000 0.68996 1.00000
In5 In 0.85817 0.50000 0.35325 1.00000
In6 In 0.86042 0.50000 0.01905 1.00000
In7 In 0.65301 0.00000 0.85078 1.00000
In8 In 0.64754 0.00000 0.52030 1.00000
In9 In 0.64880 0.00000 0.18588 1.00000
In10 In 0.15551 0.00000 0.98162 1.00000
In11 In 0.15258 0.00000 0.64986 1.00000
In12 In 0.15511 0.00000 0.31585 1.00000
Pd1 Pd 0.23247 0.50000 0.70969 1.00000
Pd2 Pd 0.23365 0.50000 0.37638 1.00000
Pd3 Pd 0.23595 0.50000 0.04193 1.00000
Pd4 Pd 0.73456 0.50000 0.79119 1.00000
Au1 Au 0.73704 0.50000 0.45670 1.00000
Au2 Au 0.73759 0.50000 0.12249 1.00000
Au3 Au 0.76093 0.00000 0.95572 1.00000
Au4 Au 0.75931 0.00000 0.62447 1.00000
Au5 Au 0.76019 0.00000 0.29001 1.00000
Au6 Au 0.26072 0.00000 0.87636 1.00000
Au7 Au 0.25931 0.00000 0.54442 1.00000
Au8 Au 0.25995 0.00000 0.21009 1.00000
