Tb2Sn2Ru2C
Alexandria ALEXAlex-ID: agm002388872 · 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
AB2C2D2_67_spg12
TbSnRu C
2023-03-24 20:05:00.677112
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002388872).
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 agm002388872
data_agm002388872
_cell_length_a 4.21538
_cell_length_b 6.10665
_cell_length_c 6.43090
_cell_angle_alpha 71.05598
_cell_angle_beta 70.82991
_cell_angle_gamma 69.81986
_cell_volume 142.53266
_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
Ru1 Ru 0.18676 0.70233 0.92549 1.00000
Ru2 Ru 0.81324 0.29767 0.07451 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.54446 0.17757 0.73414 1.00000
Tb2 Tb 0.45554 0.82243 0.26586 1.00000
Sn1 Sn 0.16056 0.36096 0.31654 1.00000
Sn2 Sn 0.83944 0.63904 0.68346 1.00000
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