NdSm8Er3
Alexandria ALEXAlex-ID: agm014436293 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_861_spg6
NdSm5 Nd(SmEr3)2 Sm
2025-03-05 07:10:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014436293).
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 agm014436293
data_agm014436293
_cell_length_a 8.95228
_cell_length_b 3.63417
_cell_length_c 12.56318
_cell_angle_alpha 90.00000
_cell_angle_beta 103.49903
_cell_angle_gamma 90.00000
_cell_volume 397.44000
_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 0.75269 0.00000 0.20737 1.00000
Sm1 Sm 0.41512 0.50000 0.06704 1.00000
Sm2 Sm 0.41691 0.00000 0.31870 1.00000
Sm3 Sm 0.08677 0.50000 0.34555 1.00000
Sm4 Sm 0.08784 0.00000 0.59956 1.00000
Sm5 Sm 0.75276 0.50000 0.45984 1.00000
Sm6 Sm 0.75717 0.00000 0.71142 1.00000
Sm7 Sm 0.75332 0.50000 0.95716 1.00000
Sm8 Sm 0.42074 0.50000 0.57326 1.00000
Er1 Er 0.08413 0.00000 0.09372 1.00000
Er2 Er 0.41774 0.00000 0.82065 1.00000
Er3 Er 0.08855 0.50000 0.84913 1.00000
获取直接链接