Nd4SiSeCl2
Alexandria ALEXAlex-ID: agm004814799 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Nd3SiCl3 Nd Nd4SiSe3
2022-07-20 20:02:43.979507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004814799).
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 agm004814799
data_agm004814799
_cell_length_a 4.23587
_cell_length_b 7.24762
_cell_length_c 7.38227
_cell_angle_alpha 70.18080
_cell_angle_beta 89.99977
_cell_angle_gamma 89.99974
_cell_volume 213.21150
_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
Nd1 Nd 0.00000 0.72823 0.74090 1.00000
Nd2 Nd 1.00000 0.27177 0.25910 1.00000
Nd3 Nd 0.50000 0.72569 0.27126 1.00000
Nd4 Nd 0.50000 0.27431 0.72874 1.00000
Si1 Si 0.00000 0.49999 0.50000 1.00000
Se1 Se 0.50000 0.50000 1.00000 1.00000
Cl1 Cl 0.00000 0.00000 1.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
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