Pt(CN)2
Alexandria ALEXAlex-ID: agm005222138 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1345_spg122
Pt C N2
2023-05-08 00:21:47.439876
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222138).
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 agm005222138
data_agm005222138
_cell_length_a 8.27498
_cell_length_b 8.27498
_cell_length_c 8.27498
_cell_angle_alpha 130.01540
_cell_angle_beta 130.01540
_cell_angle_gamma 73.38214
_cell_volume 324.42204
_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
Pt1 Pt 0.37500 0.34298 0.46798 1.00000
Pt2 Pt 0.87500 0.90702 0.53202 1.00000
Pt3 Pt 0.65702 0.12500 0.03202 1.00000
Pt4 Pt 0.09298 0.62500 0.96798 1.00000
C1 C 0.05801 0.32716 0.23499 1.00000
C2 C 0.69199 0.42698 0.76915 1.00000
C3 C 0.09217 0.82302 0.76501 1.00000
C4 C 0.65783 0.92284 0.23085 1.00000
C5 C 0.67284 0.90783 0.73085 1.00000
C6 C 0.07716 0.30801 0.73499 1.00000
C7 C 0.17698 0.94199 0.26915 1.00000
C8 C 0.57302 0.34217 0.26501 1.00000
N1 N 0.87598 0.30695 0.14361 1.00000
N2 N 0.87402 0.51762 0.93096 1.00000
N3 N 0.16334 0.73238 0.85639 1.00000
N4 N 0.58666 0.94305 0.06904 1.00000
N5 N 0.69305 0.83666 0.56904 1.00000
N6 N 0.05695 0.12598 0.64361 1.00000
N7 N 0.26762 0.12402 0.43096 1.00000
N8 N 0.48238 0.41334 0.35639 1.00000
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