Ho4U3Ta4
Alexandria ALEXAlex-ID: agm009844522 · 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
A3B4C4_55_spg71
Ho U Ta
2024-06-24 11:57:36.452812
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009844522).
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 agm009844522
data_agm009844522
_cell_length_a 17.01707
_cell_length_b 17.01707
_cell_length_c 2.96603
_cell_angle_alpha 89.85031
_cell_angle_beta 89.85031
_cell_angle_gamma 16.68626
_cell_volume 246.61740
_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
Ho1 Ho 0.08690 0.08690 0.23034 1.00000
Ho2 Ho 0.27662 0.27662 0.74810 1.00000
Ho3 Ho 0.72338 0.72338 0.25190 1.00000
Ho4 Ho 0.91310 0.91310 0.76966 1.00000
U1 U 0.63438 0.63438 0.26663 1.00000
U2 U 0.36562 0.36562 0.73337 1.00000
U3 U 0.00000 0.00000 0.50000 1.00000
Ta1 Ta 0.53971 0.53971 0.79320 1.00000
Ta2 Ta 0.46029 0.46029 0.20680 1.00000
Ta3 Ta 0.82547 0.82547 0.23909 1.00000
Ta4 Ta 0.17453 0.17453 0.76091 1.00000
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