Sb2As3S14(IF8)3
Alexandria ALEXAlex-ID: agm010143417 · 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
A2B3C3D14E24_0_spg2
SF4 SbS7IF6 Sb3As2S14(IF8)3 AsF3 I
2025-04-01 03:35:38.086668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010143417).
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 agm010143417
data_agm010143417
_cell_length_a 8.08878
_cell_length_b 9.94190
_cell_length_c 13.18040
_cell_angle_alpha 73.91632
_cell_angle_beta 83.47186
_cell_angle_gamma 85.97585
_cell_volume 1011.01633
_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
Sb1 Sb 0.51102 0.22371 0.00028 1.00000
Sb2 Sb 0.48897 0.77621 0.99974 1.00000
As1 As 0.46919 0.22841 0.66406 1.00000
As2 As 0.53076 0.77158 0.33597 1.00000
As3 As 0.00002 0.00003 0.00001 1.00000
S1 S 0.88843 0.91553 0.70252 1.00000
S2 S 0.73162 0.61033 0.72480 1.00000
S3 S 0.26845 0.38970 0.27516 1.00000
S4 S 0.96255 0.39335 0.13058 1.00000
S5 S 0.03744 0.60660 0.86940 1.00000
S6 S 0.17894 0.20379 0.38479 1.00000
S7 S 0.89111 0.45506 0.70274 1.00000
S8 S 0.87799 0.16575 0.24274 1.00000
S9 S 0.11160 0.08446 0.29752 1.00000
S10 S 0.10894 0.54499 0.29718 1.00000
S11 S 0.82102 0.79628 0.61519 1.00000
S12 S 0.12209 0.83428 0.75724 1.00000
S13 S 0.88374 0.52432 0.20756 1.00000
S14 S 0.11628 0.47571 0.79237 1.00000
I1 I 0.28709 0.76724 0.61957 1.00000
I2 I 0.00004 0.50004 0.49995 1.00000
I3 I 0.71292 0.23277 0.38041 1.00000
F1 F 0.46246 0.28401 0.52197 1.00000
F2 F 0.47165 0.40521 0.66583 1.00000
F3 F 0.24891 0.23664 0.68092 1.00000
F4 F 0.46812 0.05183 0.66112 1.00000
F5 F 0.68568 0.34548 0.92241 1.00000
F6 F 0.30994 0.77881 0.35682 1.00000
F7 F 0.52829 0.59481 0.33412 1.00000
F8 F 0.53185 0.94812 0.33900 1.00000
F9 F 0.52159 0.82707 0.19551 1.00000
F10 F 0.31436 0.65437 0.07759 1.00000
F11 F 0.65527 0.62393 0.02792 1.00000
F12 F 0.97801 0.09311 0.86691 1.00000
F13 F 0.54911 0.25785 0.13457 1.00000
F14 F 0.34474 0.37601 0.97200 1.00000
F15 F 0.21536 0.96271 0.96471 1.00000
F16 F 0.02202 0.90695 0.13312 1.00000
F17 F 0.45082 0.74215 0.86543 1.00000
F18 F 0.47824 0.17302 0.80455 1.00000
F19 F 0.05489 0.15577 0.02738 1.00000
F20 F 0.53761 0.71587 0.47804 1.00000
F21 F 0.69001 0.22114 0.64329 1.00000
F22 F 0.75105 0.76337 0.31903 1.00000
F23 F 0.78467 0.03733 0.03533 1.00000
F24 F 0.94515 0.84429 0.97264 1.00000
