Tb2Ho2Bi3
Alexandria ALEXAlex-ID: agm003306237 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_98_spg12
Tb3Ho2Bi3 Ho5Bi3 Tb3HoBi4
2022-02-03 23:51:34.983985
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306237).
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 agm003306237
data_agm003306237
_cell_length_a 4.42207
_cell_length_b 7.46461
_cell_length_c 7.49558
_cell_angle_alpha 98.46909
_cell_angle_beta 90.03258
_cell_angle_gamma 107.27187
_cell_volume 233.43129
_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 0.88295 0.76531 0.60991 1.00000
Tb2 Tb 0.11705 0.23469 0.39009 1.00000
Ho1 Ho 0.62305 0.24598 0.86107 1.00000
Ho2 Ho 0.37695 0.75402 0.13893 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.74099 0.48255 0.24829 1.00000
Bi3 Bi 0.25901 0.51745 0.75171 1.00000
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