Ac6PmSn5
Alexandria ALEXAlex-ID: agm003676446 · 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
AB5C6_57_spg12
Ac5Sn3 Ac2Pm3Sn4 Ac4Sn3
2022-04-10 03:26:31.841951
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676446).
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 agm003676446
data_agm003676446
_cell_length_a 7.95265
_cell_length_b 9.60046
_cell_length_c 7.79174
_cell_angle_alpha 51.97052
_cell_angle_beta 83.00302
_cell_angle_gamma 78.59556
_cell_volume 459.34146
_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 0.71927 0.10389 0.36690 1.00000
Ac2 Ac 0.28073 0.52921 0.36690 1.00000
Ac3 Ac 0.20203 0.30939 1.00000 1.00000
Ac4 Ac 0.79797 0.69061 0.00000 1.00000
Ac5 Ac 0.71927 0.47079 0.63310 1.00000
Ac6 Ac 0.28073 0.89611 0.63310 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.11730 0.76541 1.00000
Sn2 Sn 1.00000 0.27589 0.44823 1.00000
Sn3 Sn 0.50000 0.50000 0.00000 1.00000
Sn4 Sn 0.00000 0.72411 0.55177 1.00000
Sn5 Sn 0.50000 0.88270 0.23459 1.00000
获取直接链接