Tb2HfCr4In
Alexandria ALEXAlex-ID: agm013106907 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_54_spg6
HfCr2 Tb2In Cr
2024-07-08 21:36:40.110327
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013106907).
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 agm013106907
data_agm013106907
_cell_length_a 4.76051
_cell_length_b 4.76051
_cell_length_c 6.85529
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 155.35779
_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
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.00000 0.00000 0.50000 1.00000
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.50000 0.00000 0.74112 1.00000
Cr2 Cr 0.50000 0.00000 0.25888 1.00000
Cr3 Cr 0.00000 0.50000 0.25888 1.00000
Cr4 Cr 0.00000 0.50000 0.74112 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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