Pu2C2Cl
Alexandria ALEXAlex-ID: agm002201838 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_308_spg15
Pu2C2Cl
2018-07-09 23:44:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201838).
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 agm002201838
data_agm002201838
_cell_length_a 3.98601
_cell_length_b 6.27158
_cell_length_c 7.43733
_cell_angle_alpha 99.51277
_cell_angle_beta 105.54203
_cell_angle_gamma 89.99962
_cell_volume 176.46913
_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
C1 C 0.34354 0.52833 0.44336 1.00000
C2 C 0.90018 0.97166 0.55664 1.00000
C3 C 0.65645 0.47166 0.55665 1.00000
C4 C 0.09981 0.02833 0.44335 1.00000
Cl1 Cl 0.80348 0.25000 1.00000 1.00000
Cl2 Cl 0.19656 0.75000 0.00000 1.00000
Pu1 Pu 0.53152 0.84544 0.70166 1.00000
Pu2 Pu 0.17010 0.34543 0.70167 1.00000
Pu3 Pu 0.46847 0.15456 0.29833 1.00000
Pu4 Pu 0.82988 0.65456 0.29833 1.00000
