La(ZnCu2)4
Alexandria ALEXAlex-ID: agm003672002 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
LaZn3Cu2 LaZn9Cu2 Cu
2022-04-20 21:34:48.413864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672002).
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 agm003672002
data_agm003672002
_cell_length_a 4.93579
_cell_length_b 6.67987
_cell_length_c 6.67987
_cell_angle_alpha 82.15490
_cell_angle_beta 68.31812
_cell_angle_gamma 68.31812
_cell_volume 190.17666
_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
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Zn3 Zn 0.00000 0.50000 0.00000 1.00000
Zn4 Zn 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 1.00000 0.35763 0.64237 1.00000
Cu2 Cu 0.00000 0.64237 0.35763 1.00000
Cu3 Cu 0.35763 0.64237 0.64237 1.00000
Cu4 Cu 0.64237 0.35763 0.35763 1.00000
Cu5 Cu 0.50000 0.76961 0.23039 1.00000
Cu6 Cu 0.50000 0.23039 0.76961 1.00000
Cu7 Cu 0.26961 0.23039 0.23039 1.00000
Cu8 Cu 0.73039 0.76961 0.76961 1.00000
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