HoNpF7
Alexandria ALEXAlex-ID: agm024137201 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
NpF4 HoF3
2024-12-05 04:47:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024137201).
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 agm024137201
data_agm024137201
_cell_length_a 6.16104
_cell_length_b 6.11674
_cell_length_c 8.44752
_cell_angle_alpha 90.00000
_cell_angle_beta 102.49931
_cell_angle_gamma 90.00000
_cell_volume 310.80359
_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
Ho1 Ho 0.32345 0.29453 0.73423 1.00000
Ho2 Ho 0.67655 0.79453 0.26577 1.00000
Np1 Np 0.15062 0.29718 0.19714 1.00000
Np2 Np 0.84938 0.79718 0.80286 1.00000
F1 F 0.97926 0.07767 0.98942 1.00000
F2 F 0.02074 0.57767 0.01058 1.00000
F3 F 0.40359 0.56543 0.25741 1.00000
F4 F 0.59641 0.06543 0.74259 1.00000
F5 F 0.40383 0.02958 0.24835 1.00000
F6 F 0.59617 0.52958 0.75165 1.00000
F7 F 0.92891 0.04933 0.28850 1.00000
F8 F 0.07109 0.54933 0.71150 1.00000
F9 F 0.26784 0.29896 0.47011 1.00000
F10 F 0.73216 0.79896 0.52989 1.00000
F11 F 0.35729 0.29972 0.99373 1.00000
F12 F 0.64271 0.79972 0.00627 1.00000
F13 F 0.89745 0.51190 0.28245 1.00000
F14 F 0.10255 0.01190 0.71755 1.00000
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