La2Zn2Ni
Alexandria ALEXAlex-ID: agm003403290 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1742_spg12
LaZn2 La3Ni4 LaZn
2022-02-11 08:50:26.288176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403290).
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 agm003403290
data_agm003403290
_cell_length_a 3.93056
_cell_length_b 6.06812
_cell_length_c 10.75589
_cell_angle_alpha 87.69227
_cell_angle_beta 79.47195
_cell_angle_gamma 71.10289
_cell_volume 238.57797
_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 0.71357 0.21388 0.35899 1.00000
La2 La 0.91127 0.29693 0.88052 1.00000
La3 La 0.28643 0.78612 0.64101 1.00000
La4 La 0.08873 0.70307 0.11948 1.00000
Zn1 Zn 0.03519 0.34206 0.58755 1.00000
Zn2 Zn 0.62441 0.86710 0.88407 1.00000
Zn3 Zn 0.96481 0.65794 0.41245 1.00000
Zn4 Zn 0.37559 0.13290 0.11593 1.00000
Ni1 Ni 0.57657 0.15282 0.69404 1.00000
Ni2 Ni 0.42343 0.84718 0.30596 1.00000
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