Sm2CoSi2Tc
Alexandria ALEXAlex-ID: agm052518052 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_333_spg72
Sm2Si2Tc SmCoSi Sm(SiTc2)2 Sm
2024-11-28 03:40:39.017018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm052518052).
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 agm052518052
data_agm052518052
_cell_length_a 7.97975
_cell_length_b 7.97975
_cell_length_c 7.97975
_cell_angle_alpha 136.90554
_cell_angle_beta 137.00321
_cell_angle_gamma 62.50830
_cell_volume 233.86130
_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
Sm1 Sm 0.08283 0.83874 0.24409 1.00000
Sm2 Sm 0.91717 0.16126 0.75591 1.00000
Sm3 Sm 0.40535 0.66126 0.74409 1.00000
Sm4 Sm 0.59465 0.33874 0.25591 1.00000
Co1 Co 0.00000 0.25000 0.25000 1.00000
Co2 Co 0.00000 0.75000 0.75000 1.00000
Si1 Si 0.67055 0.90944 0.76111 1.00000
Si2 Si 0.14832 0.40944 0.73889 1.00000
Si3 Si 0.85168 0.59056 0.26111 1.00000
Si4 Si 0.32945 0.09056 0.23889 1.00000
Tc1 Tc 0.50000 0.25000 0.75000 1.00000
Tc2 Tc 0.50000 0.75000 0.25000 1.00000
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