TmUF7
Alexandria ALEXAlex-ID: agm024154274 · 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_80_spg2
TmU3F15 TmF3
2025-03-11 05:00:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024154274).
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 agm024154274
data_agm024154274
_cell_length_a 6.22658
_cell_length_b 5.95040
_cell_length_c 8.50369
_cell_angle_alpha 90.00000
_cell_angle_beta 103.89052
_cell_angle_gamma 90.00000
_cell_volume 305.85334
_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 0.14444 0.29730 0.18250 1.00000
Tm2 Tm 0.85556 0.79730 0.81750 1.00000
U1 U 0.31911 0.29613 0.72650 1.00000
U2 U 0.68089 0.79613 0.27350 1.00000
F1 F 0.00021 0.05108 0.99792 1.00000
F2 F 0.99979 0.55108 0.00208 1.00000
F3 F 0.40357 0.55769 0.25404 1.00000
F4 F 0.59643 0.05769 0.74596 1.00000
F5 F 0.41719 0.05081 0.25389 1.00000
F6 F 0.58281 0.55081 0.74611 1.00000
F7 F 0.93712 0.05645 0.29147 1.00000
F8 F 0.06288 0.55645 0.70853 1.00000
F9 F 0.27244 0.29907 0.46810 1.00000
F10 F 0.72756 0.79907 0.53190 1.00000
F11 F 0.36252 0.30199 0.98570 1.00000
F12 F 0.63748 0.80199 0.01430 1.00000
F13 F 0.91480 0.51332 0.28809 1.00000
F14 F 0.08520 0.01332 0.71191 1.00000
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