Tb2Er2TmHg2
Alexandria ALEXAlex-ID: agm024132712 · 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
AB2C2D2_13_spg12
Tb5Er TbTmHg TbErHg ErTmHg
2025-06-28 04:18:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024132712).
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 agm024132712
data_agm024132712
_cell_length_a 6.57825
_cell_length_b 6.57825
_cell_length_c 8.49736
_cell_angle_alpha 81.40391
_cell_angle_beta 98.59609
_cell_angle_gamma 147.26520
_cell_volume 196.41163
_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 0.87021 0.12979 0.56135 1.00000
Tb2 Tb 0.12979 0.87021 0.43865 1.00000
Er1 Er 0.25509 0.74491 0.83634 1.00000
Er2 Er 0.74491 0.25509 0.16366 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.44116 0.55884 0.26336 1.00000
Hg2 Hg 0.55884 0.44116 0.73664 1.00000
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