La2GeN
Alexandria ALEXAlex-ID: agm005806399 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1783_spg15
LaGe LaN
2023-07-13 05:43:26.766032
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806399).
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 agm005806399
data_agm005806399
_cell_length_a 4.90119
_cell_length_b 6.17968
_cell_length_c 7.43843
_cell_angle_alpha 96.18686
_cell_angle_beta 109.22264
_cell_angle_gamma 89.99545
_cell_volume 211.34297
_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
La1 La 0.25612 0.16036 0.66414 1.00000
La2 La 0.04557 0.58228 0.24320 1.00000
La3 La 0.68048 0.66033 0.66422 1.00000
La4 La 0.46991 0.08221 0.24297 1.00000
Ge1 Ge 0.86298 0.12119 0.95354 1.00000
Ge2 Ge 0.36279 0.62100 0.95354 1.00000
N1 N 0.33443 0.87130 0.45353 1.00000
N2 N 0.39181 0.37130 0.45363 1.00000
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