LaNd2Sc3
Alexandria ALEXAlex-ID: agm035893149 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_764_spg2
La3Nd5 Nd Sc
2025-04-14 07:39:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035893149).
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 agm035893149
data_agm035893149
_cell_length_a 7.67465
_cell_length_b 7.67465
_cell_length_c 9.91722
_cell_angle_alpha 89.76426
_cell_angle_beta 90.23574
_cell_angle_gamma 142.14704
_cell_volume 358.43816
_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 0.58706 0.41294 0.11920 1.00000
La2 La 0.41294 0.58706 0.88080 1.00000
Nd1 Nd 0.08851 0.91149 0.37315 1.00000
Nd2 Nd 0.91149 0.08851 0.62685 1.00000
Nd3 Nd 0.41089 0.58911 0.36917 1.00000
Nd4 Nd 0.58911 0.41089 0.63083 1.00000
Sc1 Sc 0.91014 0.08986 0.12350 1.00000
Sc2 Sc 0.08986 0.91014 0.87650 1.00000
Sc3 Sc 0.25257 0.74743 0.12093 1.00000
Sc4 Sc 0.74743 0.25257 0.87907 1.00000
Sc5 Sc 0.24812 0.75188 0.63029 1.00000
Sc6 Sc 0.75188 0.24812 0.36971 1.00000
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