LaY14Pu
Alexandria ALEXAlex-ID: agm005790959 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_14_spg123
LaY2 Y Pu
2023-07-19 06:37:18.567331
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005790959).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005790959
data_agm005790959
_cell_length_a 7.16819
_cell_length_b 7.16819
_cell_length_c 10.07184
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00294
_cell_volume 517.52080
_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 0.87503 0.12497 0.00000 1.00000
Y1 Y 0.37497 0.62503 0.50000 1.00000
Y2 Y 0.87502 0.12498 0.50000 1.00000
Y3 Y 0.87492 0.62492 0.00000 1.00000
Y4 Y 0.87501 0.62502 0.50000 1.00000
Y5 Y 0.37508 0.12508 0.00000 1.00000
Y6 Y 0.37498 0.12499 0.50000 1.00000
Y7 Y 0.62221 0.87221 0.75053 1.00000
Y8 Y 0.62221 0.87221 0.24947 1.00000
Y9 Y 0.12779 0.37779 0.75053 1.00000
Y10 Y 0.12779 0.37779 0.24947 1.00000
Y11 Y 0.12788 0.87212 0.75061 1.00000
Y12 Y 0.12788 0.87212 0.24939 1.00000
Y13 Y 0.62213 0.37787 0.75051 1.00000
Y14 Y 0.62213 0.37787 0.24949 1.00000
Pu1 Pu 0.37499 0.62501 0.00000 1.00000
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