KNp(H3Rh)2
Alexandria ALEXAlex-ID: agm007707151 · 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
ABC2D6_2548_spg2
K(H3Rh)2 K3H9Rh2 NpH3 NpRh3
2024-03-05 18:36:13.525528
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007707151).
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 agm007707151
data_agm007707151
_cell_length_a 7.92860
_cell_length_b 5.86673
_cell_length_c 5.43604
_cell_angle_alpha 110.54467
_cell_angle_beta 87.69143
_cell_angle_gamma 99.57665
_cell_volume 233.43061
_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
K1 K 0.47322 0.31323 0.66189 1.00000
K2 K 0.52678 0.68677 0.33811 1.00000
Np1 Np 0.96151 0.14604 0.35508 1.00000
Np2 Np 0.03849 0.85396 0.64492 1.00000
H1 H 0.85546 0.48678 0.62416 1.00000
H2 H 0.21472 0.99428 0.35855 1.00000
H3 H 0.14454 0.51322 0.37584 1.00000
H4 H 0.78528 0.00572 0.64145 1.00000
H5 H 0.69419 0.75395 0.92124 1.00000
H6 H 0.13857 0.26356 0.71210 1.00000
H7 H 0.30581 0.24605 0.07876 1.00000
H8 H 0.86143 0.73644 0.28790 1.00000
H9 H 0.71379 0.36269 0.99705 1.00000
H10 H 0.66396 0.13713 0.27325 1.00000
H11 H 0.28621 0.63731 0.00295 1.00000
H12 H 0.33604 0.86287 0.72675 1.00000
Rh1 Rh 0.74160 0.07560 0.97036 1.00000
Rh2 Rh 0.12945 0.38397 0.04159 1.00000
Rh3 Rh 0.25840 0.92440 0.02964 1.00000
Rh4 Rh 0.87055 0.61603 0.95841 1.00000
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