Th3U3P8
Alexandria ALEXAlex-ID: agm005234844 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_7_spg5
Th3P4 U3P4
2023-05-06 20:26:40.944554
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234844).
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 agm005234844
data_agm005234844
_cell_length_a 7.26812
_cell_length_b 7.26812
_cell_length_c 8.39886
_cell_angle_alpha 55.04667
_cell_angle_beta 55.04667
_cell_angle_gamma 70.64228
_cell_volume 298.04582
_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
Th1 Th 0.62008 0.12512 0.37842 1.00000
Th2 Th 0.87488 0.37992 0.62158 1.00000
Th3 Th 0.37878 0.62122 0.50000 1.00000
U1 U 0.12046 0.87954 0.00000 1.00000
U2 U 0.75309 0.74810 0.87309 1.00000
U3 U 0.25190 0.24691 0.12691 1.00000
P1 P 0.48914 0.65420 0.76938 1.00000
P2 P 0.15130 0.99437 0.59801 1.00000
P3 P 0.00563 0.84870 0.40199 1.00000
P4 P 0.34580 0.51086 0.23062 1.00000
P5 P 0.65972 0.99996 0.08475 1.00000
P6 P 0.49280 0.14360 0.76887 1.00000
P7 P 0.00004 0.34028 0.91525 1.00000
P8 P 0.85640 0.50720 0.23113 1.00000
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