CaU4O10
Alexandria ALEXAlex-ID: agm012890601 · 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
AB4C10_27_spg1
CaU4O10
2024-11-17 09:02:05.449932
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012890601).
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 agm012890601
data_agm012890601
_cell_length_a 15.68759
_cell_length_b 15.68759
_cell_length_c 6.59900
_cell_angle_alpha 86.61618
_cell_angle_beta 86.61618
_cell_angle_gamma 14.01808
_cell_volume 392.68660
_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
Ca1 Ca 0.59942 0.59942 0.29922 1.00000
Ca2 Ca 0.40058 0.40058 0.70078 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
U2 U 0.69964 0.69964 0.59722 1.00000
U3 U 0.50000 0.50000 0.00000 1.00000
U4 U 0.30036 0.30036 0.40278 1.00000
U5 U 0.09967 0.09967 0.79888 1.00000
U6 U 0.19871 0.19871 0.09917 1.00000
U7 U 0.80129 0.80129 0.90083 1.00000
U8 U 0.90033 0.90033 0.20112 1.00000
O1 O 0.47873 0.47873 0.67850 1.00000
O2 O 0.92821 0.92821 0.50154 1.00000
O3 O 0.07179 0.07179 0.49846 1.00000
O4 O 0.97645 0.97645 0.16741 1.00000
O5 O 0.42772 0.42772 0.04166 1.00000
O6 O 0.52127 0.52127 0.32150 1.00000
O7 O 0.62774 0.62774 0.63923 1.00000
O8 O 0.22556 0.22556 0.42489 1.00000
O9 O 0.67828 0.67828 0.27410 1.00000
O10 O 0.77444 0.77444 0.57511 1.00000
O11 O 0.12747 0.12747 0.09939 1.00000
O12 O 0.02355 0.02355 0.83259 1.00000
O13 O 0.57228 0.57228 0.95834 1.00000
O14 O 0.72533 0.72533 0.92292 1.00000
O15 O 0.17739 0.17739 0.76703 1.00000
O16 O 0.27467 0.27467 0.07708 1.00000
O17 O 0.82261 0.82261 0.23297 1.00000
O18 O 0.37226 0.37226 0.36077 1.00000
O19 O 0.87253 0.87253 0.90061 1.00000
O20 O 0.32172 0.32172 0.72590 1.00000
