SrH8Pd
Alexandria ALEXAlex-ID: agm091787601 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC8_462_spg1
SrH3Pd H2
2025-05-28 04:28:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091787601).
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 agm091787601
data_agm091787601
_cell_length_a 4.84361
_cell_length_b 5.07321
_cell_length_c 13.44768
_cell_angle_alpha 99.85063
_cell_angle_beta 92.03319
_cell_angle_gamma 117.35012
_cell_volume 286.71161
_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
Sr1 Sr 0.99132 0.96800 0.99239 1.00000
Sr2 Sr 0.57756 0.30665 0.33383 1.00000
Sr3 Sr 0.38435 0.62747 0.65300 1.00000
H1 H 0.27725 0.94880 0.16484 1.00000
H2 H 0.71498 0.97953 0.81865 1.00000
H3 H 0.15714 0.53610 0.03963 1.00000
H4 H 0.87697 0.41223 0.93547 1.00000
H5 H 0.66769 0.78649 0.12600 1.00000
H6 H 0.33314 0.11774 0.85697 1.00000
H7 H 0.89718 0.26721 0.48636 1.00000
H8 H 0.32919 0.32349 0.15880 1.00000
H9 H 0.97726 0.89410 0.36890 1.00000
H10 H 0.50435 0.77022 0.27480 1.00000
H11 H 0.33835 0.18708 0.51073 1.00000
H12 H 0.96345 0.48622 0.19324 1.00000
H13 H 0.63206 0.59132 0.83311 1.00000
H14 H 0.99712 0.67971 0.50650 1.00000
H15 H 0.51279 0.18745 0.70245 1.00000
H16 H 0.92799 0.06927 0.61112 1.00000
H17 H 0.03456 0.45028 0.79023 1.00000
H18 H 0.57518 0.75796 0.47291 1.00000
H19 H 0.13468 0.42305 0.38281 1.00000
H20 H 0.98435 0.82868 0.68436 1.00000
H21 H 0.93963 0.71779 0.72075 1.00000
H22 H 0.59182 0.17908 0.01377 1.00000
H23 H 0.55643 0.09877 0.05893 1.00000
H24 H 0.17174 0.49978 0.33662 1.00000
Pd1 Pd 0.95440 0.97509 0.49150 1.00000
Pd2 Pd 0.68163 0.28894 0.82195 1.00000
Pd3 Pd 0.31544 0.64149 0.15937 1.00000
