Rb2Np5H2
Alexandria ALEXAlex-ID: agm007013169 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1774_spg2
NpH3 Rb Np
2024-03-10 23:47:31.307337
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007013169).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007013169
data_agm007013169
_cell_length_a 3.36139
_cell_length_b 5.56639
_cell_length_c 13.51304
_cell_angle_alpha 90.19803
_cell_angle_beta 92.41699
_cell_angle_gamma 76.62473
_cell_volume 245.75835
_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 0.13588 0.24720 0.35520 1.00000
Rb2 Rb 0.86412 0.75280 0.64480 1.00000
Np1 Np 0.39232 0.61615 0.92355 1.00000
Np2 Np 0.60768 0.38385 0.07645 1.00000
Np3 Np 0.17572 0.24237 0.86163 1.00000
Np4 Np 0.82428 0.75763 0.13837 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
H1 H 0.47345 0.54939 0.22735 1.00000
H2 H 0.52655 0.45061 0.77265 1.00000
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