LaTb5Tm12
Alexandria ALEXAlex-ID: agm064533869 · 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
AB5C12_2_spg12
Tb5Tm4 TbTm5 La3Tb5
2024-12-11 01:00:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064533869).
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 agm064533869
data_agm064533869
_cell_length_a 6.14900
_cell_length_b 6.14900
_cell_length_c 17.11763
_cell_angle_alpha 86.57801
_cell_angle_beta 93.42199
_cell_angle_gamma 59.99417
_cell_volume 556.46830
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.16640 0.16640 0.50000 1.00000
Tb3 Tb 0.83360 0.83360 0.50000 1.00000
Tb4 Tb 0.66670 0.66670 0.00000 1.00000
Tb5 Tb 0.33330 0.33330 0.00000 1.00000
Tm1 Tm 0.11074 0.88926 0.33224 1.00000
Tm2 Tm 0.88926 0.11074 0.66776 1.00000
Tm3 Tm 0.39153 0.60847 0.16939 1.00000
Tm4 Tm 0.60847 0.39153 0.83061 1.00000
Tm5 Tm 0.05676 0.27799 0.16938 1.00000
Tm6 Tm 0.27799 0.05676 0.83062 1.00000
Tm7 Tm 0.72201 0.94324 0.16938 1.00000
Tm8 Tm 0.94324 0.72201 0.83062 1.00000
Tm9 Tm 0.22214 0.44467 0.66707 1.00000
Tm10 Tm 0.55533 0.77786 0.66707 1.00000
Tm11 Tm 0.44467 0.22214 0.33293 1.00000
Tm12 Tm 0.77786 0.55533 0.33293 1.00000
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