Ca2Tm2Sn3
Alexandria ALEXAlex-ID: agm009732633 · 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
A2B2C3_43_spg166
Tm5Sn3 Ca2Sn Ca3(TmSn2)2
2024-03-23 14:29:56.041310
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009732633).
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 agm009732633
data_agm009732633
_cell_length_a 9.69703
_cell_length_b 9.69703
_cell_length_c 9.69703
_cell_angle_alpha 30.73500
_cell_angle_beta 30.73500
_cell_angle_gamma 30.73500
_cell_volume 211.19291
_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
Ca1 Ca 0.87318 0.87318 0.87318 1.00000
Ca2 Ca 0.12682 0.12682 0.12682 1.00000
Tm1 Tm 0.62557 0.62557 0.62557 1.00000
Tm2 Tm 0.37443 0.37443 0.37443 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.75292 0.75292 0.75292 1.00000
Sn3 Sn 0.24708 0.24708 0.24708 1.00000
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