La3Ga3Pt
Alexandria ALEXAlex-ID: agm005963477 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_599_spg44
LaGa LaGa2 LaPt
2023-08-05 05:34:06.038095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963477).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005963477
data_agm005963477
_cell_length_a 4.54565
_cell_length_b 3.98626
_cell_length_c 10.40670
_cell_angle_alpha 101.04173
_cell_angle_beta 102.61510
_cell_angle_gamma 90.00000
_cell_volume 180.44002
_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 0.31880 0.81880 0.63760 1.00000
La2 La 0.68916 0.18916 0.37831 1.00000
La3 La 0.99614 0.99614 0.99228 1.00000
Ga1 Ga 0.13844 0.63844 0.27689 1.00000
Ga2 Ga 0.86199 0.36199 0.72399 1.00000
Ga3 Ga 0.56260 0.56260 0.12519 1.00000
Pt1 Pt 0.43287 0.43287 0.86574 1.00000
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