Sr5Cd2N
Alexandria ALEXAlex-ID: agm006010334 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1190_spg62
Sr3Cd2 Sr2N
2023-09-03 01:20:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010334).
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 agm006010334
data_agm006010334
_cell_length_a 7.49758
_cell_length_b 9.79461
_cell_length_c 15.11499
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1109.98281
_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 0.75000 0.72615 0.11045 1.00000
Sr2 Sr 0.25000 0.27385 0.88955 1.00000
Sr3 Sr 0.25000 0.77385 0.61045 1.00000
Sr4 Sr 0.75000 0.22615 0.38955 1.00000
Sr5 Sr 0.50333 0.65745 0.89461 1.00000
Sr6 Sr 0.49667 0.34255 0.10539 1.00000
Sr7 Sr 0.49667 0.84255 0.39461 1.00000
Sr8 Sr 0.00333 0.34255 0.10539 1.00000
Sr9 Sr 0.50333 0.15745 0.60539 1.00000
Sr10 Sr 0.99667 0.65745 0.89461 1.00000
Sr11 Sr 0.99667 0.15745 0.60539 1.00000
Sr12 Sr 0.00333 0.84255 0.39461 1.00000
Sr13 Sr 0.50000 0.00000 0.00000 1.00000
Sr14 Sr 0.50000 0.50000 0.50000 1.00000
Sr15 Sr 0.00000 0.00000 0.00000 1.00000
Sr16 Sr 0.00000 0.50000 0.50000 1.00000
Sr17 Sr 0.75000 0.94964 0.79656 1.00000
Sr18 Sr 0.25000 0.05036 0.20344 1.00000
Sr19 Sr 0.25000 0.55036 0.29656 1.00000
Sr20 Sr 0.75000 0.44964 0.70344 1.00000
Cd1 Cd 0.75000 0.53680 0.29375 1.00000
Cd2 Cd 0.25000 0.46320 0.70625 1.00000
Cd3 Cd 0.25000 0.96320 0.79375 1.00000
Cd4 Cd 0.75000 0.03680 0.20625 1.00000
Cd5 Cd 0.75000 0.80157 0.58997 1.00000
Cd6 Cd 0.25000 0.19843 0.41003 1.00000
Cd7 Cd 0.25000 0.69843 0.08997 1.00000
Cd8 Cd 0.75000 0.30157 0.91003 1.00000
N1 N 0.75000 0.82075 0.94321 1.00000
N2 N 0.25000 0.17925 0.05679 1.00000
N3 N 0.25000 0.67925 0.44321 1.00000
N4 N 0.75000 0.32075 0.55679 1.00000
