Pm3(YTm)4
Alexandria ALEXAlex-ID: agm008942471 · 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
A3B4C4_203_spg2
PmY2 YTm2 PmTm2
2024-05-17 06:53:01.427216
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008942471).
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 agm008942471
data_agm008942471
_cell_length_a 7.96249
_cell_length_b 7.96249
_cell_length_c 14.68615
_cell_angle_alpha 60.96178
_cell_angle_beta 60.96178
_cell_angle_gamma 25.80506
_cell_volume 351.49813
_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
Pm1 Pm 0.81911 0.81911 0.77406 1.00000
Pm2 Pm 0.18089 0.18089 0.22594 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.27043 0.27043 0.59245 1.00000
Y2 Y 0.72957 0.72957 0.40755 1.00000
Y3 Y 0.91032 0.91032 0.13483 1.00000
Y4 Y 0.08968 0.08968 0.86517 1.00000
Tm1 Tm 0.54474 0.54474 0.68348 1.00000
Tm2 Tm 0.63720 0.63720 0.04470 1.00000
Tm3 Tm 0.36280 0.36280 0.95530 1.00000
Tm4 Tm 0.45526 0.45526 0.31652 1.00000
获取直接链接