Tb3(SnPd)2
Alexandria ALEXAlex-ID: agm009920195 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_22_spg12
Tb2SnPd2 TbSnPd Tb5Sn4
2024-06-01 04:23:32.287553
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009920195).
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 agm009920195
data_agm009920195
_cell_length_a 6.49898
_cell_length_b 6.49898
_cell_length_c 7.66948
_cell_angle_alpha 101.28040
_cell_angle_beta 101.28040
_cell_angle_gamma 31.30829
_cell_volume 164.81969
_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
Tb1 Tb 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.38160 0.38160 0.55405 1.00000
Tb3 Tb 0.61840 0.61840 0.44595 1.00000
Sn1 Sn 0.21936 0.21936 0.16530 1.00000
Sn2 Sn 0.78064 0.78064 0.83470 1.00000
Pd1 Pd 0.10060 0.10060 0.75918 1.00000
Pd2 Pd 0.89940 0.89940 0.24082 1.00000
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