NaPrAg2F6
Alexandria ALEXAlex-ID: agm004972033 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_596_spg1
NaPrF4 AgF
2022-07-23 04:28:29.760312
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972033).
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 agm004972033
data_agm004972033
_cell_length_a 6.14679
_cell_length_b 6.13677
_cell_length_c 6.31883
_cell_angle_alpha 90.03107
_cell_angle_beta 119.07833
_cell_angle_gamma 120.07445
_cell_volume 170.62128
_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
Na1 Na 0.99940 0.99924 0.98452 1.00000
Pr1 Pr 0.00166 0.50029 0.48798 1.00000
Ag1 Ag 0.55224 0.77494 0.31322 1.00000
Ag2 Ag 0.55933 0.27953 0.82508 1.00000
F1 F 0.49476 0.87320 0.69751 1.00000
F2 F 0.50324 0.12660 0.19827 1.00000
F3 F 0.84201 0.71235 0.20140 1.00000
F4 F 0.08638 0.37423 0.20089 1.00000
F5 F 0.83487 0.61890 0.69465 1.00000
F6 F 0.09169 0.21837 0.69901 1.00000
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