Ac12Tl5Pb2
Alexandria ALEXAlex-ID: agm003371387 · 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
A2B5C12_37_spg12
Ac5Tl3 Ac5Pb3 Ac
2022-02-08 13:22:37.445460
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371387).
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 agm003371387
data_agm003371387
_cell_length_a 7.95847
_cell_length_b 10.37480
_cell_length_c 11.00241
_cell_angle_alpha 102.18225
_cell_angle_beta 90.00000
_cell_angle_gamma 112.55362
_cell_volume 816.77008
_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
Ac1 Ac 0.93601 0.87201 0.18320 1.00000
Ac2 Ac 0.07889 0.64267 0.89115 1.00000
Ac3 Ac 0.56377 0.64267 0.89115 1.00000
Ac4 Ac 0.10431 0.70410 0.43752 1.00000
Ac5 Ac 0.59978 0.70410 0.43752 1.00000
Ac6 Ac 0.49191 0.98383 0.71588 1.00000
Ac7 Ac 0.50809 0.01617 0.28412 1.00000
Ac8 Ac 0.89569 0.29590 0.56248 1.00000
Ac9 Ac 0.40022 0.29590 0.56248 1.00000
Ac10 Ac 0.92111 0.35733 0.10885 1.00000
Ac11 Ac 0.43623 0.35733 0.10885 1.00000
Ac12 Ac 0.06399 0.12799 0.81680 1.00000
Tl1 Tl 0.29624 0.59249 0.64057 1.00000
Tl2 Tl 0.32833 0.65667 0.16501 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.67167 0.34333 0.83499 1.00000
Tl5 Tl 0.70376 0.40751 0.35943 1.00000
Pb1 Pb 0.71216 0.00000 0.00000 1.00000
Pb2 Pb 0.28784 1.00000 1.00000 1.00000
获取直接链接