Nd2SmI8
Alexandria ALEXAlex-ID: agm003523924 · 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
NdI3 SmI3 NdI2
2022-03-15 11:07:07.705446
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523924).
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 agm003523924
data_agm003523924
_cell_length_a 7.37290
_cell_length_b 11.00166
_cell_length_c 11.00166
_cell_angle_alpha 46.92162
_cell_angle_beta 97.07921
_cell_angle_gamma 97.07921
_cell_volume 645.91068
_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 0.42627 0.14450 0.14450 1.00000
Nd2 Nd 0.57373 0.85550 0.85550 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
I1 I 0.73499 0.20379 0.68148 1.00000
I2 I 0.26501 0.31852 0.79621 1.00000
I3 I 0.84029 0.13818 0.13818 1.00000
I4 I 0.15971 0.86182 0.86182 1.00000
I5 I 0.73499 0.68148 0.20379 1.00000
I6 I 0.26501 0.79621 0.31852 1.00000
I7 I 0.36154 0.28546 0.28546 1.00000
I8 I 0.63846 0.71454 0.71454 1.00000
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