H7PdC2
Alexandria ALEXAlex-ID: agm006201323 · 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
AB2C7_1010_spg1
C Pd H4C
2023-10-27 02:42:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201323).
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 agm006201323
data_agm006201323
_cell_length_a 7.85287
_cell_length_b 8.01403
_cell_length_c 7.28742
_cell_angle_alpha 154.07208
_cell_angle_beta 30.91412
_cell_angle_gamma 140.34711
_cell_volume 103.01870
_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
H1 H 0.33185 0.82084 0.85293 1.00000
H2 H 0.73269 0.78195 0.86303 1.00000
H3 H 0.34730 0.76676 0.32584 1.00000
H4 H 0.30511 0.31330 0.26668 1.00000
H5 H 0.72978 0.78026 0.11077 1.00000
H6 H 0.36834 0.25219 0.41021 1.00000
H7 H 0.61882 0.36143 0.67462 1.00000
C1 C 0.33485 0.12779 0.17504 1.00000
C2 C 0.60708 0.67266 0.99399 1.00000
Pd1 Pd 0.85658 0.18020 0.79503 1.00000
获取直接链接