NpZn(H3Au)2
Alexandria ALEXAlex-ID: agm007705170 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
Zn2Au3 NpH3 H6Au
2025-05-27 20:54:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007705170).
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 agm007705170
data_agm007705170
_cell_length_a 5.51269
_cell_length_b 6.64625
_cell_length_c 6.69682
_cell_angle_alpha 101.09554
_cell_angle_beta 102.65547
_cell_angle_gamma 103.06104
_cell_volume 225.52579
_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 0.25163 0.81450 0.18739 1.00000
Np2 Np 0.74837 0.18550 0.81261 1.00000
Zn1 Zn 0.25017 0.34417 0.65804 1.00000
Zn2 Zn 0.74983 0.65583 0.34196 1.00000
H1 H 0.61577 0.05104 0.44810 1.00000
H2 H 0.88509 0.55281 0.95405 1.00000
H3 H 0.38423 0.94896 0.55190 1.00000
H4 H 0.11491 0.44719 0.04595 1.00000
H5 H 0.89157 0.86128 0.80286 1.00000
H6 H 0.60041 0.18954 0.13557 1.00000
H7 H 0.10843 0.13872 0.19714 1.00000
H8 H 0.39959 0.81046 0.86443 1.00000
H9 H 0.47377 0.65326 0.39959 1.00000
H10 H 0.02394 0.59591 0.34240 1.00000
H11 H 0.52623 0.34674 0.60041 1.00000
H12 H 0.97606 0.40409 0.65760 1.00000
Au1 Au 0.64432 0.69085 0.93015 1.00000
Au2 Au 0.85884 0.07251 0.31222 1.00000
Au3 Au 0.35568 0.30915 0.06985 1.00000
Au4 Au 0.14116 0.92749 0.68778 1.00000
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