Nd8Tm2Sc3
Alexandria ALEXAlex-ID: agm005605989 · 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
A2B3C8_237_spg12
Nd NdTm2 Sc
2023-06-16 08:53:11.392470
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605989).
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 agm005605989
data_agm005605989
_cell_length_a 5.98230
_cell_length_b 8.78310
_cell_length_c 8.78342
_cell_angle_alpha 81.04560
_cell_angle_beta 72.99742
_cell_angle_gamma 72.98702
_cell_volume 420.78159
_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 0.24926 0.58699 0.58699 1.00000
Nd2 Nd 0.75074 0.41301 0.41301 1.00000
Nd3 Nd 0.88166 0.13661 0.13660 1.00000
Nd4 Nd 0.11834 0.86339 0.86340 1.00000
Nd5 Nd 0.64543 0.61161 0.07815 1.00000
Nd6 Nd 0.64544 0.07815 0.61162 1.00000
Nd7 Nd 0.35456 0.92185 0.38838 1.00000
Nd8 Nd 0.35457 0.38839 0.92185 1.00000
Tm1 Tm 0.31843 0.31873 0.31872 1.00000
Tm2 Tm 0.68157 0.68127 0.68128 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Sc2 Sc 0.00001 0.27184 0.72817 1.00000
Sc3 Sc 0.99999 0.72816 0.27183 1.00000
获取直接链接