Ac(NdI4)2
Alexandria ALEXAlex-ID: agm003523927 · 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
AB2C8_227_spg12
NdI2 NdI3 AcI3
2022-03-15 11:28:45.881033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523927).
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 agm003523927
data_agm003523927
_cell_length_a 7.67325
_cell_length_b 11.10551
_cell_length_c 11.10551
_cell_angle_alpha 47.10236
_cell_angle_beta 96.83701
_cell_angle_gamma 96.83701
_cell_volume 687.40490
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.43481 0.14665 0.14665 1.00000
Nd2 Nd 0.56519 0.85335 0.85335 1.00000
I1 I 0.72192 0.20001 0.67446 1.00000
I2 I 0.27808 0.32554 0.79999 1.00000
I3 I 0.83380 0.14330 0.14330 1.00000
I4 I 0.16620 0.85670 0.85670 1.00000
I5 I 0.72192 0.67446 0.20001 1.00000
I6 I 0.27808 0.79999 0.32554 1.00000
I7 I 0.35469 0.28398 0.28398 1.00000
I8 I 0.64531 0.71602 0.71602 1.00000
获取直接链接