Y4Ho10Th
Alexandria ALEXAlex-ID: agm005998732 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_62_spg87
YHo8 Ho2Th Y5Ho
2023-08-08 21:16:21.584570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998732).
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 agm005998732
data_agm005998732
_cell_length_a 10.37396
_cell_length_b 8.62107
_cell_length_c 8.62107
_cell_angle_alpha 68.77701
_cell_angle_beta 53.01089
_cell_angle_gamma 53.01088
_cell_volume 491.91299
_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
Y1 Y 0.33304 0.73666 0.59726 1.00000
Y2 Y 0.93030 0.40274 0.73666 1.00000
Y3 Y 0.06970 0.59726 0.26334 1.00000
Y4 Y 0.66696 0.26334 0.40274 1.00000
Ho1 Ho 0.25000 0.50000 0.50000 1.00000
Ho2 Ho 0.54956 0.32388 0.90081 1.00000
Ho3 Ho 0.12656 0.09919 0.32388 1.00000
Ho4 Ho 0.54963 0.90081 0.67612 1.00000
Ho5 Ho 0.77425 0.67612 0.09919 1.00000
Ho6 Ho 0.45044 0.67612 0.09919 1.00000
Ho7 Ho 0.75000 0.50000 0.50000 1.00000
Ho8 Ho 0.22575 0.32388 0.90081 1.00000
Ho9 Ho 0.45037 0.09919 0.32388 1.00000
Ho10 Ho 0.87344 0.90081 0.67612 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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