Tm3Zn3Si
Alexandria ALEXAlex-ID: agm005963971 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_599_spg44
TmZn2 Tm5Si3 TmSi
2023-08-06 17:48:18.096733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963971).
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 agm005963971
data_agm005963971
_cell_length_a 4.12906
_cell_length_b 3.91227
_cell_length_c 9.63976
_cell_angle_alpha 101.70799
_cell_angle_beta 102.36672
_cell_angle_gamma 90.00001
_cell_volume 148.78893
_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 0.31440 0.81440 0.62881 1.00000
Tm2 Tm 0.69057 0.19057 0.38115 1.00000
Tm3 Tm 0.99327 0.99327 0.98654 1.00000
Zn1 Zn 0.14371 0.64371 0.28741 1.00000
Zn2 Zn 0.85833 0.35833 0.71666 1.00000
Zn3 Zn 0.56524 0.56524 0.13048 1.00000
Si1 Si 0.43448 0.43448 0.86896 1.00000
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