AcHo2(ThU)2
Alexandria ALEXAlex-ID: agm011576858 · 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
AB2C2D2_70_spg2
Ac HoTh U
2024-06-04 08:06:55.088450
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011576858).
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}
}
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# CIF generated by HEAS from Alexandria entry agm011576858
data_agm011576858
_cell_length_a 9.48606
_cell_length_b 9.48606
_cell_length_c 8.96660
_cell_angle_alpha 49.06583
_cell_angle_beta 49.06583
_cell_angle_gamma 22.03266
_cell_volume 225.38251
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.63839 0.63839 0.60950 1.00000
Ho2 Ho 0.36161 0.36161 0.39050 1.00000
Th1 Th 0.09316 0.09316 0.00332 1.00000
Th2 Th 0.90684 0.90684 0.99668 1.00000
U1 U 0.72052 0.72052 0.12269 1.00000
U2 U 0.27948 0.27948 0.87731 1.00000
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