Tm6AlTl5
Alexandria ALEXAlex-ID: agm006111756 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
Tm5Tl4 TmAl2 TmTl
2023-08-17 22:20:13.229111
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111756).
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 agm006111756
data_agm006111756
_cell_length_a 5.30809
_cell_length_b 7.35519
_cell_length_c 9.16147
_cell_angle_alpha 113.66638
_cell_angle_beta 106.83901
_cell_angle_gamma 90.00181
_cell_volume 310.78126
_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
Tl1 Tl 0.67033 0.17033 0.34066 1.00000
Tl2 Tl 0.33337 0.33337 0.66673 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.66663 0.66663 0.33327 1.00000
Tl5 Tl 0.32967 0.82967 0.65934 1.00000
Tm1 Tm 0.83752 0.59232 0.67504 1.00000
Tm2 Tm 0.83752 0.08271 0.67504 1.00000
Tm3 Tm 0.49999 0.75879 0.00000 1.00000
Tm4 Tm 0.50001 0.24121 1.00000 1.00000
Tm5 Tm 0.16248 0.91729 0.32496 1.00000
Tm6 Tm 0.16248 0.40768 0.32496 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
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