HoTm3C2
Alexandria ALEXAlex-ID: agm005692176 · 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
AB2C3_2203_spg166
HoTmC Tm2C
2023-08-29 12:41:08.373906
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692176).
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
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# CIF generated by HEAS from Alexandria entry agm005692176
data_agm005692176
_cell_length_a 12.70115
_cell_length_b 12.70211
_cell_length_c 7.27948
_cell_angle_alpha 29.18131
_cell_angle_beta 29.18186
_cell_angle_gamma 32.46274
_cell_volume 262.28830
_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 0.24189 0.24182 0.25768 1.00000
Ho2 Ho 0.75811 0.75818 0.74232 1.00000
Tm1 Tm 0.25989 0.76076 0.73966 1.00000
Tm2 Tm 0.76070 0.25995 0.73966 1.00000
Tm3 Tm 0.25989 0.25994 0.74133 1.00000
Tm4 Tm 0.23930 0.74005 0.26034 1.00000
Tm5 Tm 0.74011 0.23924 0.26034 1.00000
Tm6 Tm 0.74011 0.74006 0.25867 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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