Pm6Tl2O
Alexandria ALEXAlex-ID: agm005809495 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2_spg225
Pm2Tl Pm3TlO Pm
2023-07-12 21:55:34.922922
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809495).
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 agm005809495
data_agm005809495
_cell_length_a 7.07433
_cell_length_b 7.07433
_cell_length_c 7.07457
_cell_angle_alpha 59.99648
_cell_angle_beta 59.99648
_cell_angle_gamma 60.00194
_cell_volume 250.34512
_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 0.25351 0.25351 0.74592 1.00000
Pm2 Pm 0.25382 0.74665 0.25334 1.00000
Pm3 Pm 0.74618 0.25335 0.74666 1.00000
Pm4 Pm 0.74665 0.25382 0.25334 1.00000
Pm5 Pm 0.25335 0.74618 0.74666 1.00000
Pm6 Pm 0.74649 0.74649 0.25408 1.00000
Tl1 Tl 0.24999 0.24999 0.24984 1.00000
Tl2 Tl 0.75001 0.75001 0.75016 1.00000
O1 O 0.50000 0.50000 0.50000 1.00000
获取直接链接