Nd2ScSn2
Alexandria ALEXAlex-ID: agm003395992 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_315_spg71
Nd4ScSn3 Nd2Sc3Sn4
2022-02-11 21:52:08.951119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003395992).
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 agm003395992
data_agm003395992
_cell_length_a 4.61022
_cell_length_b 6.25027
_cell_length_c 6.25027
_cell_angle_alpha 63.89851
_cell_angle_beta 68.35825
_cell_angle_gamma 68.35825
_cell_volume 145.65892
_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 0.20053 0.29947 0.29947 1.00000
Nd2 Nd 0.79947 0.70053 0.70053 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.27329 0.72671 1.00000
Sn2 Sn 0.50000 0.72671 0.27329 1.00000
获取直接链接