Ho3(TmIn3)2
Alexandria ALEXAlex-ID: agm003348830 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C6_7_spg139
HoTm2In3 Ho2TmIn3 Ho3In5
2022-02-02 17:19:33.119810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348830).
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 agm003348830
data_agm003348830
_cell_length_a 5.74134
_cell_length_b 5.74134
_cell_length_c 11.79639
_cell_angle_alpha 104.08444
_cell_angle_beta 104.08444
_cell_angle_gamma 90.00000
_cell_volume 365.09142
_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 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.85260 0.85260 0.70520 1.00000
Ho3 Ho 0.14740 0.14740 0.29480 1.00000
Tm1 Tm 0.42430 0.42430 0.84860 1.00000
Tm2 Tm 0.57570 0.57570 0.15140 1.00000
In1 In 0.07214 0.57214 0.14429 1.00000
In2 In 0.57214 0.07214 0.14429 1.00000
In3 In 0.92786 0.42786 0.85571 1.00000
In4 In 0.42786 0.92786 0.85571 1.00000
In5 In 0.71339 0.71339 0.42678 1.00000
In6 In 0.28661 0.28661 0.57322 1.00000
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