LaPm6Dy2Tm
Alexandria ALEXAlex-ID: agm004982002 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_695_spg15
PmTm2 Pm3Dy5 LaPm Pm
2022-07-25 04:23:14.217726
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004982002).
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 agm004982002
data_agm004982002
_cell_length_a 9.66599
_cell_length_b 8.93254
_cell_length_c 8.93254
_cell_angle_alpha 117.19640
_cell_angle_beta 93.38792
_cell_angle_gamma 93.38792
_cell_volume 681.56022
_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 0.97163 0.02837 1.00000
La2 La 0.75000 0.02837 0.97163 1.00000
Pm1 Pm 0.05576 0.11977 0.75552 1.00000
Pm2 Pm 0.44424 0.24448 0.88023 1.00000
Pm3 Pm 0.94424 0.88023 0.24448 1.00000
Pm4 Pm 0.55576 0.75552 0.11977 1.00000
Pm5 Pm 0.31516 0.99073 0.43949 1.00000
Pm6 Pm 0.18484 0.56051 0.00927 1.00000
Pm7 Pm 0.68484 0.00927 0.56051 1.00000
Pm8 Pm 0.81516 0.43949 0.99073 1.00000
Pm9 Pm 0.11725 0.70655 0.48786 1.00000
Pm10 Pm 0.38275 0.51214 0.29345 1.00000
Pm11 Pm 0.88275 0.29345 0.51214 1.00000
Pm12 Pm 0.61725 0.48786 0.70655 1.00000
Dy1 Dy 0.45118 0.79719 0.69621 1.00000
Dy2 Dy 0.04882 0.30379 0.20281 1.00000
Dy3 Dy 0.54882 0.20281 0.30379 1.00000
Dy4 Dy 0.95118 0.69621 0.79719 1.00000
Tm1 Tm 0.25000 0.41096 0.58904 1.00000
Tm2 Tm 0.75000 0.58904 0.41096 1.00000
