La3Zn5
Alexandria ALEXAlex-ID: agm005519082 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_193_spg12
LaZn LaZn2
2023-08-10 15:12:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519082).
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
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# CIF generated by HEAS from Alexandria entry agm005519082
data_agm005519082
_cell_length_a 8.61439
_cell_length_b 8.35249
_cell_length_c 7.99089
_cell_angle_alpha 92.11244
_cell_angle_beta 96.54577
_cell_angle_gamma 137.24358
_cell_volume 381.53884
_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
Zn1 Zn 0.17427 0.64873 0.41890 1.00000
Zn2 Zn 0.82487 0.35124 0.58112 1.00000
Zn3 Zn 0.91495 0.24742 0.86660 1.00000
Zn4 Zn 0.08419 0.75261 0.13341 1.00000
Zn5 Zn 0.80210 0.60139 0.35828 1.00000
Zn6 Zn 0.19695 0.39865 0.64165 1.00000
Zn7 Zn 0.73472 0.41543 0.87143 1.00000
Zn8 Zn 0.26452 0.58461 0.12861 1.00000
Zn9 Zn 0.10637 0.26747 0.30993 1.00000
Zn10 Zn 0.89282 0.73246 0.69002 1.00000
La1 La 0.73071 0.78505 0.03199 1.00000
La2 La 0.26840 0.21498 0.96795 1.00000
La3 La 0.33356 0.14347 0.49116 1.00000
La4 La 0.66559 0.85655 0.50889 1.00000
La5 La 0.32401 0.83132 0.82129 1.00000
La6 La 0.67525 0.16873 0.17877 1.00000
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