Nd3TeHRh
Alexandria ALEXAlex-ID: agm006794518 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_371_spg11
Nd3Rh2 NdTe NdH2
2024-03-06 04:12:23.639692
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006794518).
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 agm006794518
data_agm006794518
_cell_length_a 4.17380
_cell_length_b 8.58991
_cell_length_c 8.90315
_cell_angle_alpha 73.64439
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 306.28403
_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 0.25000 0.81823 0.88939 1.00000
Nd2 Nd 0.75000 0.18177 0.11061 1.00000
Nd3 Nd 0.75000 0.81017 0.54215 1.00000
Nd4 Nd 0.25000 0.18983 0.45785 1.00000
Nd5 Nd 0.25000 0.43380 0.76959 1.00000
Nd6 Nd 0.75000 0.56620 0.23041 1.00000
Te1 Te 0.75000 0.12840 0.75769 1.00000
Te2 Te 0.25000 0.87160 0.24231 1.00000
H1 H 0.75000 0.09470 0.39911 1.00000
H2 H 0.25000 0.90530 0.60089 1.00000
Rh1 Rh 0.75000 0.59540 0.87929 1.00000
Rh2 Rh 0.25000 0.40460 0.12071 1.00000
获取直接链接