U7Ti2
Alexandria ALEXAlex-ID: agm009764599 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7_150_spg12
U2Ti U
2024-09-25 06:56:05.289565
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009764599).
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 agm009764599
data_agm009764599
_cell_length_a 4.81387
_cell_length_b 5.50164
_cell_length_c 7.48632
_cell_angle_alpha 102.39940
_cell_angle_beta 90.05281
_cell_angle_gamma 115.92117
_cell_volume 173.14601
_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 0.35927 0.71840 0.06625 1.00000
U2 U 0.64073 0.28160 0.93375 1.00000
U3 U 0.80581 0.60988 0.70203 1.00000
U4 U 0.19419 0.39012 0.29797 1.00000
U5 U 0.40410 0.80750 0.60791 1.00000
U6 U 0.59590 0.19250 0.39209 1.00000
U7 U 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.89018 0.78050 0.33470 1.00000
Ti2 Ti 0.10982 0.21950 0.66530 1.00000
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