YTm3Sb2
Alexandria ALEXAlex-ID: agm003422147 · 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
AB2C3_1568_spg12
Y3Tm2Sb3 Tm5Sb3 Tm
2022-02-15 19:11:03.730515
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003422147).
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 agm003422147
data_agm003422147
_cell_length_a 4.24931
_cell_length_b 10.46364
_cell_length_c 9.65393
_cell_angle_alpha 125.31963
_cell_angle_beta 90.00000
_cell_angle_gamma 101.71545
_cell_volume 339.22009
_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
Y1 Y 0.89022 0.78043 0.89553 1.00000
Y2 Y 0.10978 0.21957 0.10447 1.00000
Tm1 Tm 0.31182 0.62363 0.51553 1.00000
Tm2 Tm 0.94395 0.88790 0.56175 1.00000
Tm3 Tm 0.64256 0.28512 0.80741 1.00000
Tm4 Tm 0.35744 0.71488 0.19259 1.00000
Tm5 Tm 0.05605 0.11210 0.43825 1.00000
Tm6 Tm 0.68818 0.37637 0.48447 1.00000
Sb1 Sb 0.49031 0.98063 0.82529 1.00000
Sb2 Sb 0.50969 0.01937 0.17471 1.00000
Sb3 Sb 0.75010 0.50020 0.21948 1.00000
Sb4 Sb 0.24990 0.49980 0.78052 1.00000
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