La3Th2Zr3
Alexandria ALEXAlex-ID: agm009351290 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_15_spg12
La LaTh4 Zr
2024-06-28 11:05:46.412878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009351290).
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 agm009351290
data_agm009351290
_cell_length_a 8.06194
_cell_length_b 8.06194
_cell_length_c 8.06194
_cell_angle_alpha 137.91068
_cell_angle_beta 137.56997
_cell_angle_gamma 61.30137
_cell_volume 234.30718
_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 0.86198 0.36198 0.50000 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.13802 0.63802 0.50000 1.00000
Th1 Th 0.26088 0.26088 0.00000 1.00000
Th2 Th 0.73912 0.73912 0.00000 1.00000
Zr1 Zr 0.38209 0.88209 0.50000 1.00000
Zr2 Zr 0.61791 0.11791 0.50000 1.00000
Zr3 Zr 0.50000 0.50000 0.00000 1.00000
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