Np(H3Rh2)2
Alexandria ALEXAlex-ID: agm006100641 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_258_spg1
Np(H2Rh)3 NpHRh3 H8Rh3
2023-07-11 12:47:22.949649
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100641).
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
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# CIF generated by HEAS from Alexandria entry agm006100641
data_agm006100641
_cell_length_a 5.87389
_cell_length_b 4.71384
_cell_length_c 5.61342
_cell_angle_alpha 115.84505
_cell_angle_beta 124.77232
_cell_angle_gamma 93.82056
_cell_volume 103.93038
_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 0.04790 0.29072 0.98714 1.00000
H1 H 0.48818 0.84573 0.51410 1.00000
H2 H 0.08224 0.36232 0.53740 1.00000
H3 H 0.59395 0.55586 0.03552 1.00000
H4 H 0.56953 0.34253 0.51472 1.00000
H5 H 0.50982 0.06275 0.96388 1.00000
H6 H 0.03773 0.83718 0.50687 1.00000
Rh1 Rh 0.31959 0.13247 0.59650 1.00000
Rh2 Rh 0.73469 0.82417 0.90114 1.00000
Rh3 Rh 0.77368 0.48271 0.38112 1.00000
Rh4 Rh 0.34279 0.76379 0.06161 1.00000
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