TmThF7
Alexandria ALEXAlex-ID: agm024183547 · 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
ThF4 TmF3
2024-12-08 09:31:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024183547).
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 agm024183547
data_agm024183547
_cell_length_a 6.28697
_cell_length_b 6.08810
_cell_length_c 8.58475
_cell_angle_alpha 90.00000
_cell_angle_beta 101.44728
_cell_angle_gamma 90.00000
_cell_volume 322.05096
_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 0.81146 0.29475 0.72662 1.00000
Tm2 Tm 0.18854 0.79475 0.27338 1.00000
Th1 Th 0.66282 0.29906 0.19574 1.00000
Th2 Th 0.33718 0.79906 0.80426 1.00000
F1 F 0.46641 0.09079 0.98574 1.00000
F2 F 0.53359 0.59079 0.01426 1.00000
F3 F 0.92870 0.56042 0.26027 1.00000
F4 F 0.07130 0.06042 0.73973 1.00000
F5 F 0.92953 0.03343 0.25246 1.00000
F6 F 0.07047 0.53343 0.74754 1.00000
F7 F 0.44237 0.03489 0.28817 1.00000
F8 F 0.55763 0.53489 0.71183 1.00000
F9 F 0.76710 0.30057 0.47315 1.00000
F10 F 0.23290 0.80057 0.52685 1.00000
F11 F 0.84978 0.29364 0.98105 1.00000
F12 F 0.15022 0.79364 0.01895 1.00000
F13 F 0.40359 0.51621 0.28423 1.00000
F14 F 0.59641 0.01621 0.71577 1.00000
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