Nd6TmCu8
Alexandria ALEXAlex-ID: agm072929675 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_104_spg148
TmCu2 NdCu
2024-10-05 22:44:32.513656
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072929675).
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 agm072929675
data_agm072929675
_cell_length_a 7.49464
_cell_length_b 7.49464
_cell_length_c 7.49464
_cell_angle_alpha 107.65773
_cell_angle_beta 107.65773
_cell_angle_gamma 107.65773
_cell_volume 344.10439
_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 0.84574 0.71484 0.36290 1.00000
Nd2 Nd 0.71484 0.36290 0.84574 1.00000
Nd3 Nd 0.36290 0.84574 0.71484 1.00000
Nd4 Nd 0.15426 0.28516 0.63710 1.00000
Nd5 Nd 0.28516 0.63710 0.15426 1.00000
Nd6 Nd 0.63710 0.15426 0.28516 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.64926 0.64926 0.64926 1.00000
Cu2 Cu 0.35074 0.35074 0.35074 1.00000
Cu3 Cu 0.97384 0.58599 0.69597 1.00000
Cu4 Cu 0.58599 0.69597 0.97384 1.00000
Cu5 Cu 0.69597 0.97384 0.58599 1.00000
Cu6 Cu 0.02616 0.41401 0.30403 1.00000
Cu7 Cu 0.41401 0.30403 0.02616 1.00000
Cu8 Cu 0.30403 0.02616 0.41401 1.00000
获取直接链接