LaY3(PuTe3)2
Alexandria ALEXAlex-ID: agm038250453 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
La3PuTe4 YPuTe2 YTe
2024-11-09 07:56:22.748263
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038250453).
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 agm038250453
data_agm038250453
_cell_length_a 7.63325
_cell_length_b 7.63325
_cell_length_c 7.71518
_cell_angle_alpha 80.48510
_cell_angle_beta 80.48510
_cell_angle_gamma 119.99793
_cell_volume 367.42777
_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 0.50000 1.00000
Y1 Y 0.83698 0.16302 0.00000 1.00000
Y2 Y 0.16302 0.83698 0.00000 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.66742 0.33258 0.50000 1.00000
Pu2 Pu 0.33258 0.66742 0.50000 1.00000
Te1 Te 0.57340 0.91331 0.75932 1.00000
Te2 Te 0.74488 0.74488 0.24391 1.00000
Te3 Te 0.42660 0.08669 0.24068 1.00000
Te4 Te 0.91331 0.57340 0.75932 1.00000
Te5 Te 0.25512 0.25512 0.75609 1.00000
Te6 Te 0.08669 0.42660 0.24068 1.00000
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