Na2PmMnF6
Alexandria ALEXAlex-ID: agm004972069 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_596_spg1
NaMnF3 NaF NaPmF4 Mn
2022-07-23 04:03:01.590834
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972069).
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 agm004972069
data_agm004972069
_cell_length_a 6.05376
_cell_length_b 5.78872
_cell_length_c 5.98924
_cell_angle_alpha 88.37936
_cell_angle_beta 118.41980
_cell_angle_gamma 120.87267
_cell_volume 151.81478
_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 0.58903 0.80186 0.36199 1.00000
Na2 Na 0.53418 0.25956 0.79966 1.00000
Pm1 Pm 0.03091 0.00734 0.02757 1.00000
Mn1 Mn 0.02176 0.53973 0.48337 1.00000
F1 F 0.52126 0.84279 0.72322 1.00000
F2 F 0.50114 0.10829 0.16289 1.00000
F3 F 0.74628 0.64480 0.14959 1.00000
F4 F 0.09159 0.40093 0.19677 1.00000
F5 F 0.86398 0.63790 0.69910 1.00000
F6 F 0.06544 0.23445 0.69835 1.00000
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