La3Cd7Pd4
Alexandria ALEXAlex-ID: agm005697930 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
LaCd2Pd CdPd
2023-06-29 17:32:34.035941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697930).
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 agm005697930
data_agm005697930
_cell_length_a 4.47854
_cell_length_b 8.52615
_cell_length_c 9.41013
_cell_angle_alpha 71.67708
_cell_angle_beta 76.23360
_cell_angle_gamma 74.77349
_cell_volume 324.35945
_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
La1 La 0.30103 0.18638 0.21157 1.00000
La2 La 0.69897 0.81362 0.78843 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.32389 0.84149 0.51073 1.00000
Cd2 Cd 0.48741 0.21772 0.80746 1.00000
Cd3 Cd 0.83815 0.39133 0.93236 1.00000
Cd4 Cd 0.67611 0.15851 0.48927 1.00000
Cd5 Cd 0.16185 0.60867 0.06764 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.51259 0.78228 0.19254 1.00000
Pd1 Pd 0.66126 0.43583 0.24164 1.00000
Pd2 Pd 0.33874 0.56417 0.75836 1.00000
Pd3 Pd 0.88732 0.90439 0.32097 1.00000
Pd4 Pd 0.11268 0.09561 0.67903 1.00000
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