Sr3PbN
Alexandria ALEXAlex-ID: agm003108917 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1506_spg12
Sr7Pb3N2 Sr2N
2016-03-11 00:55:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003108917).
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
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# CIF generated by HEAS from Alexandria entry agm003108917
data_agm003108917
_cell_length_a 9.40092
_cell_length_b 5.84989
_cell_length_c 7.00036
_cell_angle_alpha 65.45159
_cell_angle_beta 117.40913
_cell_angle_gamma 108.06434
_cell_volume 307.48681
_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
Pb1 Pb 0.30296 0.14415 0.74321 1.00000
Pb2 Pb 0.40833 0.91247 0.28626 1.00000
Sr1 Sr 0.05027 0.61869 0.54093 1.00000
Sr2 Sr 0.77514 0.16159 0.13134 1.00000
Sr3 Sr 0.66185 0.44651 0.48888 1.00000
Sr4 Sr 0.93674 0.85542 0.89913 1.00000
Sr5 Sr 0.19826 0.36541 0.16821 1.00000
Sr6 Sr 0.51302 0.68738 0.86103 1.00000
N1 N 0.91808 0.42602 0.85222 1.00000
N2 N 0.79383 0.70162 0.17787 1.00000
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