Sm2Tl3Zn
Alexandria ALEXAlex-ID: agm017103606 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1900_spg8
Sm3Tl5 SmTlZn SmTl3
2025-04-14 15:16:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017103606).
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 agm017103606
data_agm017103606
_cell_length_a 6.15652
_cell_length_b 6.15652
_cell_length_c 7.40672
_cell_angle_alpha 54.33237
_cell_angle_beta 125.66763
_cell_angle_gamma 132.98394
_cell_volume 158.50648
_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
Sm1 Sm 0.50367 0.49633 0.76072 1.00000
Sm2 Sm 0.50271 0.49729 0.25180 1.00000
Tl1 Tl 0.14267 0.85733 0.63918 1.00000
Tl2 Tl 0.19209 0.80791 0.22364 1.00000
Tl3 Tl 0.84203 0.15797 0.86059 1.00000
Zn1 Zn 0.82240 0.17760 0.26407 1.00000
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