La2Zn5Ni4
Alexandria ALEXAlex-ID: agm005653024 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
LaZn2Ni3 LaZn3Ni2 La3Ni4
2023-06-22 07:19:29.088542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653024).
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 agm005653024
data_agm005653024
_cell_length_a 5.19340
_cell_length_b 5.33562
_cell_length_c 8.26342
_cell_angle_alpha 81.20311
_cell_angle_beta 71.68504
_cell_angle_gamma 60.87786
_cell_volume 189.89990
_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 0.85680 0.00000 0.28641 1.00000
La2 La 0.14320 1.00000 0.71359 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.00000 1.00000
Zn3 Zn 0.50000 0.50000 0.00000 1.00000
Zn4 Zn 0.25000 0.50000 0.50000 1.00000
Zn5 Zn 0.75000 0.50000 0.50000 1.00000
Ni1 Ni 0.47504 0.30556 0.74437 1.00000
Ni2 Ni 0.52496 0.69444 0.25563 1.00000
Ni3 Ni 0.21941 0.30556 0.25563 1.00000
Ni4 Ni 0.78059 0.69444 0.74437 1.00000
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