La(Pm3Y2)2
Alexandria ALEXAlex-ID: agm003662827 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Pm5Y LaPm PmY2
2022-04-08 13:49:46.335438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662827).
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 agm003662827
data_agm003662827
_cell_length_a 7.63482
_cell_length_b 7.63482
_cell_length_c 8.69231
_cell_angle_alpha 116.05097
_cell_angle_beta 116.05097
_cell_angle_gamma 90.00000
_cell_volume 397.10755
_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 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.91634 0.45502 0.37137 1.00000
Pm2 Pm 0.45502 0.91634 0.37137 1.00000
Pm3 Pm 0.54498 0.54498 0.62863 1.00000
Pm4 Pm 0.00000 0.50000 0.00000 1.00000
Pm5 Pm 0.08366 0.08366 0.62863 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Y1 Y 0.08327 0.75452 0.83779 1.00000
Y2 Y 0.91673 0.91673 0.16221 1.00000
Y3 Y 0.75452 0.08327 0.83779 1.00000
Y4 Y 0.24548 0.24548 0.16221 1.00000
获取直接链接