Pr4CN7
Alexandria ALEXAlex-ID: agm006089159 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_233_spg2
PrN4 Pr2(CN2)3 PrN
2023-08-13 06:12:31.753122
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089159).
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 agm006089159
data_agm006089159
_cell_length_a 6.98761
_cell_length_b 9.78358
_cell_length_c 8.17384
_cell_angle_alpha 54.85386
_cell_angle_beta 27.67047
_cell_angle_gamma 57.35528
_cell_volume 211.54123
_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
Pr1 Pr 0.85298 0.65925 0.14990 1.00000
Pr2 Pr 0.14703 0.34075 0.85010 1.00000
Pr3 Pr 0.83352 0.84537 0.61189 1.00000
Pr4 Pr 0.16648 0.15463 0.38811 1.00000
C1 C 1.00000 1.00000 0.00000 1.00000
N1 N 0.46756 0.43791 0.10273 1.00000
N2 N 0.53243 0.56209 0.89728 1.00000
N3 N 0.01919 0.14214 0.82893 1.00000
N4 N 0.98080 0.85786 0.17107 1.00000
N5 N 0.13985 0.63981 0.68449 1.00000
N6 N 0.50000 1.00000 1.00000 1.00000
N7 N 0.86016 0.36019 0.31551 1.00000
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