HoS4
Alexandria ALEXAlex-ID: agm070448482 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2349_spg2
Ho10S19 HoS10
2025-01-01 10:29:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070448482).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm070448482
data_agm070448482
_cell_length_a 3.95631
_cell_length_b 6.68174
_cell_length_c 23.05540
_cell_angle_alpha 89.18206
_cell_angle_beta 89.87529
_cell_angle_gamma 88.61226
_cell_volume 609.22898
_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
Ho1 Ho 0.68704 0.45099 0.32490 1.00000
Ho2 Ho 0.31296 0.54901 0.67510 1.00000
Ho3 Ho 0.18870 0.95817 0.17555 1.00000
Ho4 Ho 0.81130 0.04183 0.82445 1.00000
S1 S 0.71825 0.72391 0.12521 1.00000
S2 S 0.28175 0.27609 0.87479 1.00000
S3 S 0.21668 0.21143 0.37535 1.00000
S4 S 0.78332 0.78857 0.62465 1.00000
S5 S 0.33020 0.75061 0.83456 1.00000
S6 S 0.68856 0.11088 0.24784 1.00000
S7 S 0.87930 0.94532 0.07105 1.00000
S8 S 0.62092 0.57379 0.57035 1.00000
S9 S 0.81135 0.38913 0.74741 1.00000
S10 S 0.37908 0.42621 0.42965 1.00000
S11 S 0.83188 0.25928 0.66490 1.00000
S12 S 0.12070 0.05468 0.92895 1.00000
S13 S 0.31144 0.88912 0.75216 1.00000
S14 S 0.16812 0.74072 0.33510 1.00000
S15 S 0.18865 0.61087 0.25259 1.00000
S16 S 0.66980 0.24939 0.16544 1.00000
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