Pm8ScTl2
Alexandria ALEXAlex-ID: agm003516396 · 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
AB2C8_317_spg12
PmScTl Pm4ScTl3 Pm
2022-04-25 19:22:11.325580
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003516396).
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 agm003516396
data_agm003516396
_cell_length_a 6.21360
_cell_length_b 10.03586
_cell_length_c 10.03586
_cell_angle_alpha 39.58326
_cell_angle_beta 63.89228
_cell_angle_gamma 63.89228
_cell_volume 352.47482
_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 0.21230 0.08573 0.57061 1.00000
Pm2 Pm 0.21230 0.57061 0.08573 1.00000
Pm3 Pm 0.78770 0.91427 0.42939 1.00000
Pm4 Pm 0.27300 0.48883 0.48883 1.00000
Pm5 Pm 0.78770 0.42939 0.91427 1.00000
Pm6 Pm 0.34848 0.12012 0.12012 1.00000
Pm7 Pm 0.65152 0.87988 0.87988 1.00000
Pm8 Pm 0.72700 0.51117 0.51117 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.75407 0.32123 0.32123 1.00000
Tl2 Tl 0.24593 0.67877 0.67877 1.00000
获取直接链接