Ca2Tb5Sm4
Alexandria ALEXAlex-ID: agm005668188 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_657_spg2
Tb2Sm Ca Sm
2023-06-21 11:44:21.269722
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668188).
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 agm005668188
data_agm005668188
_cell_length_a 6.30085
_cell_length_b 9.60678
_cell_length_c 11.52075
_cell_angle_alpha 126.92059
_cell_angle_beta 136.97263
_cell_angle_gamma 70.70417
_cell_volume 372.79421
_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 0.94877 0.26975 0.31500 1.00000
Ca2 Ca 0.05123 0.73025 0.68500 1.00000
Tb1 Tb 0.12952 0.18688 0.04520 1.00000
Tb2 Tb 0.87048 0.81312 0.95480 1.00000
Tb3 Tb 0.50000 0.00000 0.50000 1.00000
Tb4 Tb 0.22901 0.63906 0.40452 1.00000
Tb5 Tb 0.77099 0.36094 0.59548 1.00000
Sm1 Sm 0.60953 0.45336 0.87554 1.00000
Sm2 Sm 0.39047 0.54664 0.12446 1.00000
Sm3 Sm 0.68680 0.90754 0.23674 1.00000
Sm4 Sm 0.31320 0.09246 0.76326 1.00000
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