CaAc2Pd5
Alexandria ALEXAlex-ID: agm006012803 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_413_spg107
CaAcPd2 CaPd2 Ac3Pd5
2023-08-21 19:07:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012803).
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 agm006012803
data_agm006012803
_cell_length_a 6.22403
_cell_length_b 6.22403
_cell_length_c 6.22403
_cell_angle_alpha 101.69432
_cell_angle_beta 113.49411
_cell_angle_gamma 113.49411
_cell_volume 183.09122
_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 1.00000 0.10990 0.10990 1.00000
Ac1 Ac 0.50000 0.24712 0.74712 1.00000
Ac2 Ac 0.50000 0.74712 0.24712 1.00000
Pd1 Pd 0.41782 0.69172 0.69172 1.00000
Pd2 Pd 0.00000 0.27390 0.69172 1.00000
Pd3 Pd 0.00000 0.69172 0.27390 1.00000
Pd4 Pd 0.58218 0.27390 0.27390 1.00000
Pd5 Pd 0.00000 0.74254 0.74254 1.00000
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