HfNp2(UP2)3
Alexandria ALEXAlex-ID: agm032121008 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
HfU2P3 NpU2P3 Hf2Np3UP6
2024-11-08 18:16:12.948371
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032121008).
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 agm032121008
data_agm032121008
_cell_length_a 8.72363
_cell_length_b 8.72363
_cell_length_c 7.84429
_cell_angle_alpha 76.21440
_cell_angle_beta 76.21440
_cell_angle_gamma 25.61407
_cell_volume 250.24785
_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
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.83532 0.83532 0.33037 1.00000
Np2 Np 0.16468 0.16468 0.66963 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
U2 U 0.83176 0.83176 0.83433 1.00000
U3 U 0.16824 0.16824 0.16567 1.00000
P1 P 0.33817 0.33817 0.07915 1.00000
P2 P 0.66731 0.66731 0.41587 1.00000
P3 P 0.66183 0.66183 0.92085 1.00000
P4 P 0.99809 0.99809 0.76162 1.00000
P5 P 0.00191 0.00191 0.23838 1.00000
P6 P 0.33269 0.33269 0.58413 1.00000
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