Ho4TcAg
Alexandria ALEXAlex-ID: agm005806898 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_180_spg2
Ho3Tc HoAg
2023-08-05 04:55:06.976418
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806898).
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 agm005806898
data_agm005806898
_cell_length_a 6.27221
_cell_length_b 7.51629
_cell_length_c 7.51688
_cell_angle_alpha 112.43561
_cell_angle_beta 98.65572
_cell_angle_gamma 98.66326
_cell_volume 315.31456
_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 0.90807 0.63485 0.79082 1.00000
Ho2 Ho 0.04100 0.93068 0.27651 1.00000
Ho3 Ho 0.59192 0.20910 0.36515 1.00000
Ho4 Ho 0.45892 0.72342 0.06920 1.00000
Ho5 Ho 0.54108 0.27658 0.93080 1.00000
Ho6 Ho 0.40808 0.79090 0.63485 1.00000
Ho7 Ho 0.95900 0.06932 0.72349 1.00000
Ho8 Ho 0.09193 0.36515 0.20918 1.00000
Tc1 Tc 0.25001 0.99920 0.00079 1.00000
Tc2 Tc 0.74999 0.00080 0.99921 1.00000
Ag1 Ag 0.74990 0.62715 0.37287 1.00000
Ag2 Ag 0.25010 0.37285 0.62713 1.00000
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