La10Pm4Y
Alexandria ALEXAlex-ID: agm005996659 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
La7Y LaPm LaY2
2023-08-08 19:46:31.471662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996659).
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 agm005996659
data_agm005996659
_cell_length_a 7.92499
_cell_length_b 9.70356
_cell_length_c 9.70356
_cell_angle_alpha 80.40088
_cell_angle_beta 65.89849
_cell_angle_gamma 65.89848
_cell_volume 621.77729
_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 0.25000 0.50000 0.50000 1.00000
La2 La 0.65038 0.29986 0.89931 1.00000
La3 La 0.04976 0.10069 0.29986 1.00000
La4 La 0.45032 0.89931 0.70014 1.00000
La5 La 0.84955 0.70014 0.10069 1.00000
La6 La 0.34962 0.70014 0.10069 1.00000
La7 La 0.75000 0.50000 0.50000 1.00000
La8 La 0.15045 0.29986 0.89931 1.00000
La9 La 0.54968 0.10069 0.29986 1.00000
La10 La 0.95024 0.89931 0.70014 1.00000
Pm1 Pm 0.39978 0.80003 0.40041 1.00000
Pm2 Pm 0.80019 0.59959 0.80003 1.00000
Pm3 Pm 0.19981 0.40041 0.19997 1.00000
Pm4 Pm 0.60022 0.19997 0.59959 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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