TmNpF7
Alexandria ALEXAlex-ID: agm024146381 · 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 TmF3
2024-12-26 16:00:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024146381).
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 agm024146381
data_agm024146381
_cell_length_a 6.12631
_cell_length_b 6.07728
_cell_length_c 8.40395
_cell_angle_alpha 90.00000
_cell_angle_beta 102.44928
_cell_angle_gamma 90.00000
_cell_volume 305.53348
_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
Tm1 Tm 0.32207 0.29423 0.73407 1.00000
Tm2 Tm 0.67793 0.79423 0.26593 1.00000
Np1 Np 0.15220 0.29716 0.19790 1.00000
Np2 Np 0.84780 0.79716 0.80210 1.00000
F1 F 0.97556 0.08210 0.98803 1.00000
F2 F 0.02444 0.58210 0.01197 1.00000
F3 F 0.40871 0.56521 0.25809 1.00000
F4 F 0.59129 0.06521 0.74191 1.00000
F5 F 0.40862 0.02924 0.24876 1.00000
F6 F 0.59138 0.52924 0.75124 1.00000
F7 F 0.93088 0.04486 0.28917 1.00000
F8 F 0.06912 0.54486 0.71083 1.00000
F9 F 0.26871 0.29901 0.47222 1.00000
F10 F 0.73129 0.79901 0.52778 1.00000
F11 F 0.35749 0.29914 0.99150 1.00000
F12 F 0.64251 0.79914 0.00850 1.00000
F13 F 0.89690 0.51317 0.28295 1.00000
F14 F 0.10310 0.01317 0.71705 1.00000
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