Sr2Zr2Ge2N
Alexandria ALEXAlex-ID: agm024003512 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
Sr2Ge Zr5Ge3N SrGe ZrN
2025-05-24 16:08:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024003512).
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}
}
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# CIF generated by HEAS from Alexandria entry agm024003512
data_agm024003512
_cell_length_a 8.94593
_cell_length_b 8.94593
_cell_length_c 8.94593
_cell_angle_alpha 151.16573
_cell_angle_beta 151.16573
_cell_angle_gamma 41.23288
_cell_volume 166.15750
_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 0.16998 0.16998 0.00000 1.00000
Sr2 Sr 0.83002 0.83002 0.00000 1.00000
Zr1 Zr 0.50000 0.00000 0.50000 1.00000
Zr2 Zr 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.38131 0.38131 0.00000 1.00000
Ge2 Ge 0.61869 0.61869 0.00000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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