CsSr3Pd
Alexandria ALEXAlex-ID: agm003147337 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1074_spg119
Sr6Pd Sr5Pd2 Cs
2016-04-05 07:47:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147337).
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 agm003147337
data_agm003147337
_cell_length_a 6.29637
_cell_length_b 6.29637
_cell_length_c 17.58929
_cell_angle_alpha 79.68947
_cell_angle_beta 79.68947
_cell_angle_gamma 90.00000
_cell_volume 674.60596
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.25000 0.75000 0.50000 1.00000
Sr1 Sr 0.12068 0.87820 0.24361 1.00000
Sr2 Sr 0.12180 0.87932 0.75639 1.00000
Sr3 Sr 0.12180 0.36429 0.75639 1.00000
Sr4 Sr 0.63571 0.87820 0.24361 1.00000
Sr5 Sr 0.43283 0.43283 0.13434 1.00000
Sr6 Sr 0.56717 0.56717 0.86566 1.00000
Pd1 Pd 0.59674 0.09674 0.80653 1.00000
Pd2 Pd 0.90326 0.40326 0.19347 1.00000
获取直接链接