Y8NpH4
Alexandria ALEXAlex-ID: agm097328609 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1845_spg8
Y Np YH2
2025-06-16 01:04:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097328609).
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 agm097328609
data_agm097328609
_cell_length_a 3.53838
_cell_length_b 9.67896
_cell_length_c 9.78397
_cell_angle_alpha 119.50158
_cell_angle_beta 89.99886
_cell_angle_gamma 89.99668
_cell_volume 291.63394
_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
Y1 Y 0.34598 0.60416 0.98794 1.00000
Y2 Y 0.34634 0.30302 0.30147 1.00000
Y3 Y 0.34632 0.27461 0.62773 1.00000
Y4 Y 0.34567 0.91884 0.60017 1.00000
Y5 Y 0.84633 0.97407 0.29142 1.00000
Y6 Y 0.84580 0.60970 0.29858 1.00000
Y7 Y 0.84618 0.62503 0.66315 1.00000
Y8 Y 0.84643 0.25302 0.95222 1.00000
Np1 Np 0.34665 0.94602 0.96826 1.00000
H1 H 0.84671 0.12120 0.13996 1.00000
H2 H 0.84597 0.51480 0.04669 1.00000
H3 H 0.84561 0.77516 0.54902 1.00000
H4 H 0.84600 0.08036 0.57338 1.00000
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