Tm4Sc5Tl2
Alexandria ALEXAlex-ID: agm005683322 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_294_spg166
Sc2Tl Tm Sc
2023-06-22 14:01:22.442874
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683322).
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 agm005683322
data_agm005683322
_cell_length_a 4.97408
_cell_length_b 4.97408
_cell_length_c 15.43899
_cell_angle_alpha 80.72980
_cell_angle_beta 80.72982
_cell_angle_gamma 60.00019
_cell_volume 325.03472
_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
Tm1 Tm 0.72286 0.72286 0.83144 1.00000
Tm2 Tm 0.57192 0.57192 0.28425 1.00000
Tm3 Tm 0.42808 0.42808 0.71575 1.00000
Tm4 Tm 0.27714 0.27714 0.16856 1.00000
Sc1 Sc 0.80229 0.80229 0.59312 1.00000
Sc2 Sc 0.64882 0.64882 0.05355 1.00000
Sc3 Sc 0.50000 0.50000 0.50000 1.00000
Sc4 Sc 0.35118 0.35118 0.94645 1.00000
Sc5 Sc 0.19771 0.19771 0.40688 1.00000
Tl1 Tl 0.12672 0.12673 0.61983 1.00000
Tl2 Tl 0.87328 0.87327 0.38017 1.00000
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