UMnF7
Alexandria ALEXAlex-ID: agm024157882 · 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
UF5 MnF2
2025-01-02 10:52:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024157882).
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 agm024157882
data_agm024157882
_cell_length_a 5.83618
_cell_length_b 6.19005
_cell_length_c 8.24922
_cell_angle_alpha 90.00000
_cell_angle_beta 99.84586
_cell_angle_gamma 90.00000
_cell_volume 293.62378
_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
U1 U 0.83417 0.27017 0.77632 1.00000
U2 U 0.16583 0.77017 0.22368 1.00000
Mn1 Mn 0.67279 0.27222 0.24791 1.00000
Mn2 Mn 0.32721 0.77222 0.75209 1.00000
F1 F 0.07470 0.23758 0.99165 1.00000
F2 F 0.92530 0.73758 0.00835 1.00000
F3 F 0.58464 0.53288 0.73590 1.00000
F4 F 0.41536 0.03288 0.26410 1.00000
F5 F 0.59680 0.00456 0.74861 1.00000
F6 F 0.40320 0.50456 0.25139 1.00000
F7 F 0.06707 0.02782 0.70981 1.00000
F8 F 0.93293 0.52782 0.29019 1.00000
F9 F 0.72805 0.27080 0.51402 1.00000
F10 F 0.27195 0.77080 0.48598 1.00000
F11 F 0.64589 0.29146 0.99654 1.00000
F12 F 0.35411 0.79146 0.00346 1.00000
F13 F 0.07223 0.51650 0.73004 1.00000
F14 F 0.92777 0.01650 0.26996 1.00000
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