Tb3Ce(SmAs3)2
Alexandria ALEXAlex-ID: agm032255679 · 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
AB2C3D6_201_spg12
CeSm5As6 Tb5CeAs6
2025-01-03 23:30:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032255679).
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 agm032255679
data_agm032255679
_cell_length_a 9.33346
_cell_length_b 9.33346
_cell_length_c 8.35536
_cell_angle_alpha 77.00734
_cell_angle_beta 102.99266
_cell_angle_gamma 154.13160
_cell_volume 309.00635
_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 0.16811 0.83189 0.83579 1.00000
Tb3 Tb 0.83189 0.16811 0.16421 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.83301 0.16699 0.66874 1.00000
Sm2 Sm 0.16699 0.83301 0.33126 1.00000
As1 As 0.66560 0.33440 0.58574 1.00000
As2 As 0.66629 0.33371 0.07988 1.00000
As3 As 0.33440 0.66560 0.41426 1.00000
As4 As 0.99858 0.00142 0.24808 1.00000
As5 As 0.00142 0.99858 0.75192 1.00000
As6 As 0.33371 0.66629 0.92012 1.00000
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