Tb2Sm6Cd
Alexandria ALEXAlex-ID: agm005679948 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1999_spg15
Tb2Cd Sm
2023-07-06 20:54:21.595969
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679948).
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 agm005679948
data_agm005679948
_cell_length_a 5.84758
_cell_length_b 11.70851
_cell_length_c 11.70865
_cell_angle_alpha 49.23496
_cell_angle_beta 76.80857
_cell_angle_gamma 76.81213
_cell_volume 587.72936
_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 0.22751 0.65708 0.89528 1.00000
Tb2 Tb 0.27252 0.10473 0.34291 1.00000
Tb3 Tb 0.77249 0.34292 0.10472 1.00000
Tb4 Tb 0.72748 0.89527 0.65709 1.00000
Sm1 Sm 0.32990 0.72590 0.56252 1.00000
Sm2 Sm 0.17010 0.43746 0.27410 1.00000
Sm3 Sm 0.67010 0.27410 0.43748 1.00000
Sm4 Sm 0.82990 0.56254 0.72590 1.00000
Sm5 Sm 0.85842 0.92095 0.33840 1.00000
Sm6 Sm 0.64161 0.66160 0.07906 1.00000
Sm7 Sm 0.14158 0.07905 0.66160 1.00000
Sm8 Sm 0.35839 0.33840 0.92094 1.00000
Sm9 Sm 0.05519 0.82578 0.06623 1.00000
Sm10 Sm 0.44484 0.93378 0.17421 1.00000
Sm11 Sm 0.94481 0.17422 0.93377 1.00000
Sm12 Sm 0.55516 0.06622 0.82579 1.00000
Cd1 Cd 0.24998 0.43074 0.56926 1.00000
Cd2 Cd 0.75002 0.56926 0.43074 1.00000
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