CaAlPd3
Alexandria ALEXAlex-ID: agm003720135 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4927_spg8
AlPd2 Ca3Al2Pd7
2022-04-15 09:35:08.123575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003720135).
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 agm003720135
data_agm003720135
_cell_length_a 5.78513
_cell_length_b 5.78530
_cell_length_c 7.76549
_cell_angle_alpha 60.25199
_cell_angle_beta 60.25318
_cell_angle_gamma 60.16784
_cell_volume 184.71079
_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 0.52373 0.65039 0.36635 1.00000
Ca2 Ca 0.61665 0.74323 0.80114 1.00000
Al1 Al 0.98908 0.11579 0.67695 1.00000
Al2 Al 0.93696 0.06365 0.08822 1.00000
Pd1 Pd 0.02636 0.15308 0.33462 1.00000
Pd2 Pd 0.53071 0.17322 0.98151 1.00000
Pd3 Pd 0.04652 0.65741 0.98149 1.00000
Pd4 Pd 0.20361 0.33015 0.74938 1.00000
Pd5 Pd 0.01773 0.61837 0.39060 1.00000
Pd6 Pd 0.49168 0.14440 0.39061 1.00000
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