Yb2SmS9
Alexandria ALEXAlex-ID: agm101981925 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_632_spg1
SmS13 YbS2 SmS2
2025-05-24 03:41:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101981925).
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 agm101981925
data_agm101981925
_cell_length_a 3.94850
_cell_length_b 8.68203
_cell_length_c 8.49311
_cell_angle_alpha 89.94572
_cell_angle_beta 90.24996
_cell_angle_gamma 95.05992
_cell_volume 290.01491
_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
Yb1 Yb 0.08830 0.41802 0.82604 1.00000
Yb2 Yb 0.54995 0.68715 0.34363 1.00000
Sm1 Sm 0.98907 0.96483 0.85191 1.00000
S1 S 0.54426 0.20055 0.82206 1.00000
S2 S 0.02870 0.52496 0.14488 1.00000
S3 S 0.02627 0.51480 0.50902 1.00000
S4 S 0.64449 0.65174 0.85047 1.00000
S5 S 0.46761 0.87382 0.07038 1.00000
S6 S 0.48109 0.79650 0.66780 1.00000
S7 S 0.82131 0.38004 0.32256 1.00000
S8 S 0.08461 0.93156 0.39207 1.00000
S9 S 0.27435 0.05601 0.19918 1.00000
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