Tb7Tl5
Alexandria ALEXAlex-ID: agm003293293 · 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
A5B7_99_spg12
Tb5Tl4 Tb5Tl3
2022-01-17 05:48:21.264110
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293293).
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 agm003293293
data_agm003293293
_cell_length_a 5.07687
_cell_length_b 6.54120
_cell_length_c 12.29989
_cell_angle_alpha 108.18606
_cell_angle_beta 90.00000
_cell_angle_gamma 112.83437
_cell_volume 354.21072
_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 0.34952 0.69904 0.71197 1.00000
Tb2 Tb 0.65048 0.30096 0.28803 1.00000
Tb3 Tb 0.93259 0.86518 0.23437 1.00000
Tb4 Tb 0.06741 0.13482 0.76563 1.00000
Tb5 Tb 0.65190 0.30379 0.00633 1.00000
Tb6 Tb 0.50000 0.00000 0.50000 1.00000
Tb7 Tb 0.34810 0.69621 0.99367 1.00000
Tl1 Tl 0.15387 0.30775 0.46752 1.00000
Tl2 Tl 0.84613 0.69225 0.53248 1.00000
Tl3 Tl 0.26931 0.53861 0.21824 1.00000
Tl4 Tl 0.73069 0.46139 0.78176 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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