UTiF7
Alexandria ALEXAlex-ID: agm024279681 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_7_spg14
UTiF7
2025-01-19 11:55:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024279681).
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 agm024279681
data_agm024279681
_cell_length_a 9.15144
_cell_length_b 5.65796
_cell_length_c 12.11933
_cell_angle_alpha 90.00000
_cell_angle_beta 118.72660
_cell_angle_gamma 90.00000
_cell_volume 550.28736
_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 0.30550 0.25624 0.73491 1.00000
U2 U 0.69450 0.75624 0.76509 1.00000
U3 U 0.69450 0.74376 0.26509 1.00000
U4 U 0.30550 0.24376 0.23491 1.00000
Ti1 Ti 0.77416 0.25356 0.54233 1.00000
Ti2 Ti 0.22584 0.75356 0.95767 1.00000
Ti3 Ti 0.22584 0.74644 0.45767 1.00000
Ti4 Ti 0.77416 0.24644 0.04233 1.00000
F1 F 0.21254 0.54486 0.08055 1.00000
F2 F 0.78746 0.04486 0.41945 1.00000
F3 F 0.78746 0.45514 0.91945 1.00000
F4 F 0.21254 0.95514 0.58055 1.00000
F5 F 0.78097 0.53501 0.44924 1.00000
F6 F 0.21903 0.03501 0.05076 1.00000
F7 F 0.21903 0.46499 0.55076 1.00000
F8 F 0.78097 0.96499 0.94924 1.00000
F9 F 0.01371 0.23685 0.13916 1.00000
F10 F 0.98629 0.73685 0.36084 1.00000
F11 F 0.98629 0.76315 0.86084 1.00000
F12 F 0.01371 0.26315 0.63916 1.00000
F13 F 0.53427 0.23827 0.94327 1.00000
F14 F 0.46573 0.73827 0.55673 1.00000
F15 F 0.46573 0.76173 0.05673 1.00000
F16 F 0.53427 0.26173 0.44327 1.00000
F17 F 0.23373 0.01478 0.35998 1.00000
F18 F 0.76627 0.51478 0.14002 1.00000
F19 F 0.76627 0.98522 0.64002 1.00000
F20 F 0.23373 0.48522 0.85998 1.00000
F21 F 0.24241 0.96179 0.83408 1.00000
F22 F 0.75759 0.46179 0.66592 1.00000
F23 F 0.75759 0.03821 0.16592 1.00000
F24 F 0.24241 0.53821 0.33408 1.00000
F25 F 0.47132 0.59572 0.77285 1.00000
F26 F 0.52868 0.09572 0.72715 1.00000
F27 F 0.52868 0.40428 0.22715 1.00000
F28 F 0.47132 0.90428 0.27285 1.00000
