U2TlCrO8
Alexandria ALEXAlex-ID: agm004903752 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_356_spg65
U2Tl2O7 UO3 Cr2O3
2023-01-06 06:32:57.302829
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004903752).
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 agm004903752
data_agm004903752
_cell_length_a 4.98187
_cell_length_b 4.98179
_cell_length_c 7.07229
_cell_angle_alpha 90.00010
_cell_angle_beta 89.99993
_cell_angle_gamma 87.18859
_cell_volume 175.31308
_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 0.50001 0.49999 0.75751 1.00000
U2 U 0.49999 0.50001 0.24249 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
O1 O 0.21205 0.78778 0.20117 1.00000
O2 O 0.69704 0.69721 0.00002 1.00000
O3 O 0.78798 0.21224 0.20117 1.00000
O4 O 0.78795 0.21222 0.79883 1.00000
O5 O 0.30296 0.30279 0.99998 1.00000
O6 O 0.21202 0.78776 0.79883 1.00000
O7 O 0.66488 0.66506 0.50000 1.00000
O8 O 0.33512 0.33494 0.50000 1.00000
获取直接链接