La(ZrGa)2
Alexandria ALEXAlex-ID: agm005411368 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
La5Ga3 Zr3Ga2 LaGa
2023-03-17 15:52:32.563523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005411368).
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 agm005411368
data_agm005411368
_cell_length_a 6.43536
_cell_length_b 6.43536
_cell_length_c 6.43536
_cell_angle_alpha 135.77132
_cell_angle_beta 135.77132
_cell_angle_gamma 64.33408
_cell_volume 127.88920
_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
Zr1 Zr 0.64344 0.64344 0.00000 1.00000
Zr2 Zr 0.35656 0.35656 0.00000 1.00000
Ga1 Ga 0.75000 0.25000 0.50000 1.00000
Ga2 Ga 0.25000 0.75000 0.50000 1.00000
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