SrTc2PN2
Alexandria ALEXAlex-ID: agm004747005 · 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
ABC2D2_341_spg2
Tc3P2 Tc3N Tc2N Sr2PN3
2022-07-11 14:07:22.627581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004747005).
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 agm004747005
data_agm004747005
_cell_length_a 5.46201
_cell_length_b 6.69296
_cell_length_c 7.65101
_cell_angle_alpha 108.74892
_cell_angle_beta 88.69962
_cell_angle_gamma 110.82335
_cell_volume 246.22757
_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 0.68835 0.33013 0.64959 1.00000
Sr2 Sr 0.31165 0.66987 0.35041 1.00000
Tc1 Tc 0.55715 0.11569 0.19577 1.00000
Tc2 Tc 0.05319 0.10319 0.20463 1.00000
Tc3 Tc 0.94681 0.89681 0.79537 1.00000
Tc4 Tc 0.44285 0.88431 0.80423 1.00000
P1 P 0.33307 0.19695 0.97986 1.00000
P2 P 0.66693 0.80305 0.02014 1.00000
N1 N 0.27972 0.03971 0.34791 1.00000
N2 N 0.10683 0.67553 0.69130 1.00000
N3 N 0.72028 0.96029 0.65209 1.00000
N4 N 0.89317 0.32447 0.30870 1.00000
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