TbHo3(TmSb2)4
Alexandria ALEXAlex-ID: agm044444069 · 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
AB3C4D8_20_spg12
HoTm3Sb4 Ho3TmSb4 Tb3HoSb4
2024-09-04 06:33:28.714268
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044444069).
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 agm044444069
data_agm044444069
_cell_length_a 8.71340
_cell_length_b 8.71340
_cell_length_c 8.71340
_cell_angle_alpha 60.00739
_cell_angle_beta 60.00739
_cell_angle_gamma 60.00739
_cell_volume 467.86561
_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 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
Ho3 Ho 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.00000 0.50000 0.00000 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.74997 0.25154 0.25154 1.00000
Sb2 Sb 0.25154 0.25154 0.74997 1.00000
Sb3 Sb 0.24924 0.24924 0.24924 1.00000
Sb4 Sb 0.25154 0.74997 0.25154 1.00000
Sb5 Sb 0.74846 0.25003 0.74846 1.00000
Sb6 Sb 0.75076 0.75076 0.75076 1.00000
Sb7 Sb 0.74846 0.74846 0.25003 1.00000
Sb8 Sb 0.25003 0.74846 0.74846 1.00000
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