K2NaNpF6
Alexandria ALEXAlex-ID: agm004928056 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_6_spg14
KNpF4 K3NpF6 NaF
2022-07-23 06:10:30.111525
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004928056).
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 agm004928056
data_agm004928056
_cell_length_a 6.26342
_cell_length_b 6.43196
_cell_length_c 8.93251
_cell_angle_alpha 90.00000
_cell_angle_beta 89.27906
_cell_angle_gamma 90.00000
_cell_volume 359.82737
_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 0.01433 0.95054 0.25212 1.00000
K2 K 0.51433 0.54946 0.75212 1.00000
K3 K 0.98567 0.04946 0.74788 1.00000
K4 K 0.48567 0.45054 0.24788 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.00000 0.50000 0.50000 1.00000
Np1 Np 0.50000 0.00000 0.50000 1.00000
Np2 Np 0.00000 0.50000 0.00000 1.00000
F1 F 0.29446 0.70038 0.04776 1.00000
F2 F 0.79446 0.79962 0.54776 1.00000
F3 F 0.70554 0.29962 0.95224 1.00000
F4 F 0.20554 0.20038 0.45224 1.00000
F5 F 0.30198 0.70997 0.44573 1.00000
F6 F 0.80198 0.79003 0.94573 1.00000
F7 F 0.69802 0.29003 0.55427 1.00000
F8 F 0.19802 0.20997 0.05427 1.00000
F9 F 0.90264 0.53798 0.24685 1.00000
F10 F 0.40264 0.96202 0.74685 1.00000
F11 F 0.09736 0.46202 0.75315 1.00000
F12 F 0.59736 0.03798 0.25315 1.00000
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