TbMnAlSi2
Alexandria ALEXAlex-ID: agm005019683 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1563_spg119
Tb2Mn3Si5 Tb3AlSi3 MnAlSi
2022-07-03 21:21:06.886211
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005019683).
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 agm005019683
data_agm005019683
_cell_length_a 3.90338
_cell_length_b 3.90338
_cell_length_c 6.08715
_cell_angle_alpha 108.70069
_cell_angle_beta 108.70069
_cell_angle_gamma 90.00000
_cell_volume 82.66376
_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 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.25000 0.75000 0.50000 1.00000
Al1 Al 0.75000 0.25000 0.50000 1.00000
Si1 Si 0.61022 0.61022 0.22043 1.00000
Si2 Si 0.38978 0.38978 0.77957 1.00000
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