Nd3Cd7Pd4
Alexandria ALEXAlex-ID: agm005697938 · 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
A3B4C7_34_spg12
NdCd2Pd CdPd
2023-06-29 17:29:45.461782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697938).
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 agm005697938
data_agm005697938
_cell_length_a 4.47028
_cell_length_b 8.41685
_cell_length_c 9.25264
_cell_angle_alpha 72.88109
_cell_angle_beta 76.02091
_cell_angle_gamma 74.60004
_cell_volume 315.68275
_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 0.30030 0.18654 0.21286 1.00000
Nd2 Nd 0.69970 0.81346 0.78714 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.32372 0.84112 0.51145 1.00000
Cd2 Cd 0.48623 0.21557 0.81198 1.00000
Cd3 Cd 0.83706 0.39353 0.93236 1.00000
Cd4 Cd 0.67628 0.15888 0.48855 1.00000
Cd5 Cd 0.16294 0.60647 0.06764 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.51377 0.78443 0.18802 1.00000
Pd1 Pd 0.65970 0.43626 0.24434 1.00000
Pd2 Pd 0.34030 0.56374 0.75566 1.00000
Pd3 Pd 0.88928 0.89959 0.32186 1.00000
Pd4 Pd 0.11072 0.10041 0.67814 1.00000
获取直接链接