Ho(In4Te3)2
Alexandria ALEXAlex-ID: agm072932633 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_262_spg148
InTe Ho2Te3 In
2024-10-06 16:28:21.854082
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072932633).
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 agm072932633
data_agm072932633
_cell_length_a 7.51420
_cell_length_b 7.54416
_cell_length_c 11.49846
_cell_angle_alpha 89.99994
_cell_angle_beta 107.60851
_cell_angle_gamma 119.09866
_cell_volume 534.33448
_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
In1 In 0.36164 0.21082 0.50756 1.00000
In2 In 0.63836 0.78918 0.49244 1.00000
In3 In 0.22939 0.79219 0.31935 1.00000
In4 In 0.48817 0.42237 0.29101 1.00000
In5 In 0.89658 0.11762 0.32938 1.00000
In6 In 0.77061 0.20781 0.68065 1.00000
In7 In 0.51183 0.57763 0.70899 1.00000
In8 In 0.10342 0.88238 0.67062 1.00000
Te1 Te 0.44801 0.06981 0.15849 1.00000
Te2 Te 0.07211 0.38110 0.14760 1.00000
Te3 Te 0.79725 0.73427 0.17837 1.00000
Te4 Te 0.55198 0.93019 0.84151 1.00000
Te5 Te 0.92789 0.61890 0.85240 1.00000
Te6 Te 0.20275 0.26573 0.82163 1.00000
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