LaZnIn2
Alexandria ALEXAlex-ID: agm005752228 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7722_spg63
LaZn3In LaZnIn LaIn3
2023-07-13 19:04:09.869620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752228).
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 agm005752228
data_agm005752228
_cell_length_a 4.69674
_cell_length_b 9.78547
_cell_length_c 9.14839
_cell_angle_alpha 90.00000
_cell_angle_beta 104.87421
_cell_angle_gamma 90.00000
_cell_volume 406.36959
_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 0.50000 0.50000 0.00000 1.00000
La2 La 0.50000 0.00000 0.00000 1.00000
La3 La 0.30488 0.75000 0.60976 1.00000
La4 La 0.69512 0.25000 0.39024 1.00000
Zn1 Zn 0.14452 0.47305 0.28904 1.00000
Zn2 Zn 0.85548 0.97305 0.71096 1.00000
Zn3 Zn 0.14452 0.02695 0.28904 1.00000
Zn4 Zn 0.85548 0.52695 0.71096 1.00000
In1 In 0.89784 0.25000 0.79569 1.00000
In2 In 0.94394 0.75000 0.88788 1.00000
In3 In 0.10216 0.75000 0.20431 1.00000
In4 In 0.05606 0.25000 0.11212 1.00000
In5 In 0.69377 0.59452 0.38754 1.00000
In6 In 0.30623 0.40548 0.61246 1.00000
In7 In 0.30623 0.09452 0.61246 1.00000
In8 In 0.69377 0.90548 0.38754 1.00000
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