TbS9
Alexandria ALEXAlex-ID: agm056929633 · 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
AB9_166_spg1
Tb10S19 TbS18
2024-12-25 16:32:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056929633).
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 agm056929633
data_agm056929633
_cell_length_a 10.05472
_cell_length_b 7.75752
_cell_length_c 10.51986
_cell_angle_alpha 90.16478
_cell_angle_beta 126.36505
_cell_angle_gamma 114.80351
_cell_volume 563.14194
_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
Tb1 Tb 0.02177 0.07321 0.08991 1.00000
Tb2 Tb 0.94829 0.47450 0.48261 1.00000
S1 S 0.85189 0.14084 0.76509 1.00000
S2 S 0.43539 0.62333 0.61066 1.00000
S3 S 0.77182 0.93350 0.26551 1.00000
S4 S 0.20777 0.05066 0.70057 1.00000
S5 S 0.56235 0.28238 0.38312 1.00000
S6 S 0.18519 0.84631 0.27981 1.00000
S7 S 0.84219 0.26951 0.92477 1.00000
S8 S 0.38966 0.40616 0.27186 1.00000
S9 S 0.92176 0.61205 0.22085 1.00000
S10 S 0.73738 0.73831 0.10570 1.00000
S11 S 0.01043 0.20983 0.34721 1.00000
S12 S 0.35716 0.73397 0.71102 1.00000
S13 S 0.59226 0.18761 0.22373 1.00000
S14 S 0.96101 0.78596 0.61334 1.00000
S15 S 0.27656 0.25079 0.88293 1.00000
S16 S 0.08764 0.36571 0.78403 1.00000
S17 S 0.70683 0.69300 0.77628 1.00000
S18 S 0.13269 0.82231 0.06117 1.00000
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