Tb2Co2Si5Ni
Alexandria ALEXAlex-ID: agm045297801 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
TbSi2Ni CoSi Tb2Co3Si5
2024-10-15 18:19:44.323441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045297801).
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 agm045297801
data_agm045297801
_cell_length_a 7.87295
_cell_length_b 7.87295
_cell_length_c 5.56361
_cell_angle_alpha 70.44087
_cell_angle_beta 70.44087
_cell_angle_gamma 92.94798
_cell_volume 300.96453
_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 0.60183 0.86993 0.76458 1.00000
Tb2 Tb 0.13007 0.39817 0.73542 1.00000
Tb3 Tb 0.39817 0.13007 0.23542 1.00000
Tb4 Tb 0.86993 0.60183 0.26458 1.00000
Co1 Co 0.53421 0.26187 0.62488 1.00000
Co2 Co 0.73813 0.46579 0.87512 1.00000
Co3 Co 0.46579 0.73813 0.37512 1.00000
Co4 Co 0.26187 0.53421 0.12488 1.00000
Si1 Si 0.26499 0.05681 0.83423 1.00000
Si2 Si 0.94319 0.73501 0.66577 1.00000
Si3 Si 0.73501 0.94319 0.16577 1.00000
Si4 Si 0.05681 0.26499 0.33423 1.00000
Si5 Si 0.48911 0.51089 0.75000 1.00000
Si6 Si 0.51089 0.48911 0.25000 1.00000
Si7 Si 0.77984 0.22016 0.75000 1.00000
Si8 Si 0.22016 0.77984 0.25000 1.00000
Si9 Si 0.23572 0.76428 0.75000 1.00000
Si10 Si 0.76428 0.23572 0.25000 1.00000
Ni1 Ni 0.99539 0.00461 0.75000 1.00000
Ni2 Ni 0.00461 0.99539 0.25000 1.00000
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