HoS11
Alexandria ALEXAlex-ID: agm068044969 · 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
AB11_148_spg1
HoS11
2024-12-25 14:23:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068044969).
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 agm068044969
data_agm068044969
_cell_length_a 4.09223
_cell_length_b 8.65618
_cell_length_c 11.38597
_cell_angle_alpha 94.28292
_cell_angle_beta 91.01348
_cell_angle_gamma 118.73330
_cell_volume 352.01300
_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 0.95913 0.08539 0.96778 1.00000
S1 S 0.86663 0.73673 0.71601 1.00000
S2 S 0.62035 0.24765 0.85651 1.00000
S3 S 0.29328 0.43910 0.51156 1.00000
S4 S 0.02722 0.79516 0.15958 1.00000
S5 S 0.46427 0.21901 0.29704 1.00000
S6 S 0.95619 0.00756 0.21716 1.00000
S7 S 0.20216 0.83142 0.98879 1.00000
S8 S 0.80495 0.67026 0.53354 1.00000
S9 S 0.38529 0.22613 0.47572 1.00000
S10 S 0.70315 0.31653 0.03819 1.00000
S11 S 0.71738 0.92505 0.73813 1.00000
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