TmU4O10
Alexandria ALEXAlex-ID: agm005995080 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
TmU7O16 TmU3O8
2023-08-08 11:27:01.812231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995080).
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 agm005995080
data_agm005995080
_cell_length_a 5.38003
_cell_length_b 6.59010
_cell_length_c 6.59010
_cell_angle_alpha 80.40867
_cell_angle_beta 65.90879
_cell_angle_gamma 65.90879
_cell_volume 194.72084
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.39866 0.80290 0.39979 1.00000
U2 U 0.79844 0.60021 0.80290 1.00000
U3 U 0.20156 0.39979 0.19710 1.00000
U4 U 0.60134 0.19710 0.60021 1.00000
O1 O 0.25000 0.50000 0.50000 1.00000
O2 O 0.64923 0.30143 0.89839 1.00000
O3 O 0.04935 0.10161 0.30143 1.00000
O4 O 0.45239 0.89839 0.69857 1.00000
O5 O 0.84904 0.69857 0.10161 1.00000
O6 O 0.35077 0.69857 0.10161 1.00000
O7 O 0.75000 0.50000 0.50000 1.00000
O8 O 0.15096 0.30143 0.89839 1.00000
O9 O 0.54761 0.10161 0.30143 1.00000
O10 O 0.95065 0.89839 0.69857 1.00000
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