Rb2NdInI6
Alexandria ALEXAlex-ID: agm004939773 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
Rb2NdI5 InI
2022-08-02 06:47:43.152531
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004939773).
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 agm004939773
data_agm004939773
_cell_length_a 8.92396
_cell_length_b 8.92394
_cell_length_c 9.10990
_cell_angle_alpha 60.66915
_cell_angle_beta 60.66844
_cell_angle_gamma 59.99554
_cell_volume 518.10155
_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
Rb1 Rb 0.53542 0.53534 0.39384 1.00000
Rb2 Rb 0.02729 0.02731 0.91817 1.00000
Nd1 Nd 0.32239 0.32239 0.03283 1.00000
In1 In 0.81694 0.81697 0.54912 1.00000
I1 I 0.56572 0.18372 0.26145 1.00000
I2 I 0.18375 0.98907 0.26139 1.00000
I3 I 0.98909 0.56580 0.26139 1.00000
I4 I 0.45482 0.66173 0.77897 1.00000
I5 I 0.66175 0.10442 0.77902 1.00000
I6 I 0.10442 0.45486 0.77903 1.00000
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