Yb(HoS2)2
Alexandria ALEXAlex-ID: agm003214101 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_39_spg122
Ho2S3 YbS
2021-12-05 22:27:47.203064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003214101).
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 agm003214101
data_agm003214101
_cell_length_a 7.20847
_cell_length_b 7.20847
_cell_length_c 7.20847
_cell_angle_alpha 109.42144
_cell_angle_beta 109.42144
_cell_angle_gamma 109.57084
_cell_volume 288.34073
_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 0.25000 0.75000 0.50000 1.00000
Yb2 Yb 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.49799 0.87500 0.12299 1.00000
Ho2 Ho 0.75201 0.37500 0.87701 1.00000
Ho3 Ho 0.12500 0.24799 0.62299 1.00000
Ho4 Ho 0.62500 0.50201 0.37701 1.00000
S1 S 0.01325 0.61946 0.74991 1.00000
S2 S 0.86946 0.76325 0.24991 1.00000
S3 S 0.38054 0.13045 0.39378 1.00000
S4 S 0.73666 0.98675 0.60622 1.00000
S5 S 0.86955 0.26334 0.25009 1.00000
S6 S 0.38045 0.13054 0.89378 1.00000
S7 S 0.23675 0.48666 0.10622 1.00000
S8 S 0.51334 0.61955 0.75009 1.00000
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