La(Cd2Au)4
Alexandria ALEXAlex-ID: agm006074065 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
La2Cd12Au7 LaCd11 Cd3Au
2023-08-30 07:31:05.749237
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006074065).
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 agm006074065
data_agm006074065
_cell_length_a 5.63876
_cell_length_b 7.61526
_cell_length_c 7.61526
_cell_angle_alpha 82.12175
_cell_angle_beta 68.27034
_cell_angle_gamma 68.27034
_cell_volume 282.18170
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.34937 0.65063 1.00000
Cd2 Cd 1.00000 0.65063 0.34937 1.00000
Cd3 Cd 0.34937 0.65063 0.65063 1.00000
Cd4 Cd 0.65063 0.34937 0.34937 1.00000
Cd5 Cd 0.50000 0.78636 0.21364 1.00000
Cd6 Cd 0.50000 0.21364 0.78636 1.00000
Cd7 Cd 0.28636 0.21364 0.21364 1.00000
Cd8 Cd 0.71364 0.78636 0.78636 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
Au3 Au 0.00000 0.50000 0.00000 1.00000
Au4 Au 0.50000 0.50000 0.00000 1.00000
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