Tb12Ga6Co
Alexandria ALEXAlex-ID: agm003691237 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_37_spg148
Tb3Ga2 Tb8Ga3Co Tb2GaCo2
2022-04-28 08:24:50.634804
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003691237).
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 agm003691237
data_agm003691237
_cell_length_a 8.35579
_cell_length_b 8.35579
_cell_length_c 8.35579
_cell_angle_alpha 99.18626
_cell_angle_beta 99.18626
_cell_angle_gamma 99.18626
_cell_volume 558.17257
_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 0.81703 0.56850 0.42995 1.00000
Tb2 Tb 0.42995 0.81703 0.56850 1.00000
Tb3 Tb 0.56850 0.42995 0.81703 1.00000
Tb4 Tb 0.18297 0.43150 0.57005 1.00000
Tb5 Tb 0.57005 0.18297 0.43150 1.00000
Tb6 Tb 0.43150 0.57005 0.18297 1.00000
Tb7 Tb 0.06612 0.96883 0.31221 1.00000
Tb8 Tb 0.03117 0.68779 0.93388 1.00000
Tb9 Tb 0.68779 0.93388 0.03117 1.00000
Tb10 Tb 0.93388 0.03117 0.68779 1.00000
Tb11 Tb 0.96883 0.31221 0.06612 1.00000
Tb12 Tb 0.31221 0.06612 0.96883 1.00000
Ga1 Ga 0.69914 0.86631 0.37370 1.00000
Ga2 Ga 0.62630 0.30086 0.13369 1.00000
Ga3 Ga 0.13369 0.62630 0.30086 1.00000
Ga4 Ga 0.30086 0.13369 0.62630 1.00000
Ga5 Ga 0.37370 0.69914 0.86631 1.00000
Ga6 Ga 0.86631 0.37370 0.69914 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
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