SrPtN3
Alexandria ALEXAlex-ID: agm002292809 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_102_spg12
SrN6 SrPt2
2019-01-09 03:18:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002292809).
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 agm002292809
data_agm002292809
_cell_length_a 4.26980
_cell_length_b 6.26812
_cell_length_c 7.89208
_cell_angle_alpha 101.10915
_cell_angle_beta 89.99820
_cell_angle_gamma 109.91575
_cell_volume 194.37423
_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 0.81646 0.63294 0.19215 1.00000
Sr2 Sr 0.18354 0.36706 0.80785 1.00000
Pt1 Pt 0.52066 0.04135 0.17772 1.00000
Pt2 Pt 0.47934 0.95865 0.82230 1.00000
N1 N 0.36916 0.73829 0.02749 1.00000
N2 N 0.63085 0.26172 0.97252 1.00000
N3 N 0.62164 0.24337 0.39414 1.00000
N4 N 0.33517 0.67022 0.45968 1.00000
N5 N 0.37836 0.75664 0.60584 1.00000
N6 N 0.66482 0.32977 0.54031 1.00000
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