NpIn(H4Ir)2
Alexandria ALEXAlex-ID: agm007607753 · 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
ABC2D8_649_spg2
NpIr3 In2Ir InH3Ir NpH6Ir
2024-03-05 23:00:13.524984
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007607753).
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 agm007607753
data_agm007607753
_cell_length_a 4.47923
_cell_length_b 4.62907
_cell_length_c 7.18006
_cell_angle_alpha 85.56026
_cell_angle_beta 72.04275
_cell_angle_gamma 118.99712
_cell_volume 119.17710
_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
Np1 Np 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.60526 0.06066 0.36993 1.00000
H2 H 0.64164 0.40421 0.12029 1.00000
H3 H 0.39474 0.93934 0.63007 1.00000
H4 H 0.08777 0.05663 0.37199 1.00000
H5 H 0.91223 0.94337 0.62801 1.00000
H6 H 0.11620 0.54690 0.31774 1.00000
H7 H 0.88380 0.45310 0.68226 1.00000
H8 H 0.35836 0.59579 0.87971 1.00000
Ir1 Ir 0.38361 0.98287 0.21809 1.00000
Ir2 Ir 0.61639 0.01713 0.78191 1.00000
获取直接链接