Ac(NdCd4)2
Alexandria ALEXAlex-ID: agm005985697 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_450_spg12
NdCd3 AcCd2
2023-09-25 08:52:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005985697).
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 agm005985697
data_agm005985697
_cell_length_a 5.42202
_cell_length_b 6.59072
_cell_length_c 9.22329
_cell_angle_alpha 110.86789
_cell_angle_beta 107.01525
_cell_angle_gamma 90.20942
_cell_volume 292.33897
_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
Ac1 Ac 0.50000 0.00000 0.00000 1.00000
Nd1 Nd 0.69209 0.69209 0.38418 1.00000
Nd2 Nd 0.30791 0.30791 0.61582 1.00000
Cd1 Cd 0.12881 0.36204 0.26016 1.00000
Cd2 Cd 0.86865 0.10188 0.73984 1.00000
Cd3 Cd 0.75047 0.50200 1.00000 1.00000
Cd4 Cd 0.70434 0.20434 0.40869 1.00000
Cd5 Cd 0.29566 0.79566 0.59131 1.00000
Cd6 Cd 0.24953 0.49800 0.00000 1.00000
Cd7 Cd 0.13135 0.89812 0.26016 1.00000
Cd8 Cd 0.87119 0.63796 0.73984 1.00000
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