Nd6HgTe3Rh2
Alexandria ALEXAlex-ID: agm004614799 · 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
AB2C3D6_28_spg12
Nd11Hg9Rh4 Nd5HgTe4 Nd5Rh4 NdRh
2022-06-28 23:42:24.770502
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004614799).
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 agm004614799
data_agm004614799
_cell_length_a 4.25885
_cell_length_b 9.16720
_cell_length_c 9.93325
_cell_angle_alpha 106.12167
_cell_angle_beta 102.37877
_cell_angle_gamma 90.00000
_cell_volume 363.16553
_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 0.32925 0.88059 0.65849 1.00000
Nd2 Nd 0.67810 0.56558 0.35620 1.00000
Nd3 Nd 0.67075 0.11941 0.34151 1.00000
Nd4 Nd 0.01684 0.26053 0.03367 1.00000
Nd5 Nd 0.98316 0.73947 0.96633 1.00000
Nd6 Nd 0.32190 0.43442 0.64380 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.84021 0.16311 0.68043 1.00000
Te3 Te 0.15979 0.83689 0.31957 1.00000
Rh1 Rh 0.83120 0.66312 0.66240 1.00000
Rh2 Rh 0.16880 0.33688 0.33760 1.00000
获取直接链接