Tm3Co3Si8
Alexandria ALEXAlex-ID: agm005686454 · 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
A3B3C8_19_spg12
Tm2Co3Si5 Tm5(Co2Si7)2 TmSi
2023-06-29 11:05:19.230523
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686454).
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 agm005686454
data_agm005686454
_cell_length_a 4.02034
_cell_length_b 7.59146
_cell_length_c 8.19299
_cell_angle_alpha 63.11936
_cell_angle_beta 75.79735
_cell_angle_gamma 74.64532
_cell_volume 212.76615
_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
Tm1 Tm 0.29310 0.75269 0.66111 1.00000
Tm2 Tm 0.70690 0.24731 0.33889 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.00000 0.50000 0.50000 1.00000
Co2 Co 0.67689 0.65698 0.98924 1.00000
Co3 Co 0.32311 0.34302 0.01076 1.00000
Si1 Si 0.11189 0.16154 0.61467 1.00000
Si2 Si 0.88811 0.83846 0.38533 1.00000
Si3 Si 0.85674 0.43385 0.85267 1.00000
Si4 Si 0.14326 0.56615 0.14733 1.00000
Si5 Si 0.52059 0.66923 0.28959 1.00000
Si6 Si 0.47941 0.33077 0.71041 1.00000
Si7 Si 0.36331 0.02711 0.24627 1.00000
Si8 Si 0.63669 0.97289 0.75373 1.00000
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