Ho2U2Pt15
Alexandria ALEXAlex-ID: agm003301013 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C15_9_spg166
Ho2UPt9 UPt8 HoUPt6
2022-01-17 23:59:31.948695
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003301013).
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 agm003301013
data_agm003301013
_cell_length_a 7.08325
_cell_length_b 7.08325
_cell_length_c 7.08325
_cell_angle_alpha 81.61933
_cell_angle_beta 81.61933
_cell_angle_gamma 81.61933
_cell_volume 345.00893
_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 0.36081 0.36081 0.36081 1.00000
Ho2 Ho 0.63919 0.63919 0.63919 1.00000
U1 U 0.08602 0.08602 0.08602 1.00000
U2 U 0.91398 0.91398 0.91398 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.00000 0.67633 0.32367 1.00000
Pt5 Pt 0.67633 0.32367 0.00000 1.00000
Pt6 Pt 0.32367 0.00000 0.67633 1.00000
Pt7 Pt 0.32367 0.67633 0.00000 1.00000
Pt8 Pt 0.67633 0.00000 0.32367 1.00000
Pt9 Pt 0.00000 0.32367 0.67633 1.00000
Pt10 Pt 0.16364 0.65897 0.65897 1.00000
Pt11 Pt 0.65897 0.65897 0.16364 1.00000
Pt12 Pt 0.65897 0.16364 0.65897 1.00000
Pt13 Pt 0.83636 0.34103 0.34103 1.00000
Pt14 Pt 0.34103 0.34103 0.83636 1.00000
Pt15 Pt 0.34103 0.83636 0.34103 1.00000
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