Tb2Si2Tc2B
Alexandria ALEXAlex-ID: agm004544729 · 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_14_spg12
Tb2Si2Tc2B
2022-06-22 00:01:20.153676
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544729).
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 agm004544729
data_agm004544729
_cell_length_a 4.04719
_cell_length_b 5.83080
_cell_length_c 6.08877
_cell_angle_alpha 71.62559
_cell_angle_beta 70.58861
_cell_angle_gamma 69.69287
_cell_volume 123.80695
_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 0.57463 0.15665 0.69409 1.00000
Tb2 Tb 0.42537 0.84335 0.30591 1.00000
Si1 Si 0.13960 0.40433 0.31647 1.00000
Si2 Si 0.86040 0.59567 0.68353 1.00000
Tc1 Tc 0.21372 0.66692 0.90563 1.00000
Tc2 Tc 0.78628 0.33308 0.09437 1.00000
B1 B 0.00000 0.00000 0.00000 1.00000
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