Sr4F31
Alexandria ALEXAlex-ID: agm079144161 · 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
A4B31_0_spg1
Sr4F31
2025-01-12 21:05:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079144161).
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 agm079144161
data_agm079144161
_cell_length_a 9.07567
_cell_length_b 8.96226
_cell_length_c 8.49525
_cell_angle_alpha 106.69457
_cell_angle_beta 108.57123
_cell_angle_gamma 111.22966
_cell_volume 543.49965
_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
Sr1 Sr 0.24919 0.26124 0.34171 1.00000
Sr2 Sr 0.71184 0.96553 0.97778 1.00000
Sr3 Sr 0.04094 0.73352 0.03445 1.00000
Sr4 Sr 0.06092 0.04388 0.71258 1.00000
F1 F 0.25587 0.87487 0.75708 1.00000
F2 F 0.75306 0.47520 0.57457 1.00000
F3 F 0.87603 0.18314 0.38889 1.00000
F4 F 0.09206 0.52819 0.28602 1.00000
F5 F 0.76439 0.22833 0.82029 1.00000
F6 F 0.59406 0.74417 0.49041 1.00000
F7 F 0.42812 0.89792 0.16903 1.00000
F8 F 0.08167 0.01252 0.41722 1.00000
F9 F 0.79705 0.67290 0.22175 1.00000
F10 F 0.50322 0.60397 0.75344 1.00000
F11 F 0.17158 0.40440 0.93209 1.00000
F12 F 0.50346 0.27033 0.09325 1.00000
F13 F 0.43731 0.96753 0.75141 1.00000
F14 F 0.59322 0.29605 0.47381 1.00000
F15 F 0.81563 0.10361 0.50812 1.00000
F16 F 0.20519 0.72888 0.34055 1.00000
F17 F 0.74618 0.39398 0.88404 1.00000
F18 F 0.47076 0.56681 0.32158 1.00000
F19 F 0.51112 0.78707 0.08484 1.00000
F20 F 0.28451 0.23523 0.64141 1.00000
F21 F 0.86929 0.68354 0.41016 1.00000
F22 F 0.32127 0.56101 0.59613 1.00000
F23 F 0.10258 0.50553 0.83057 1.00000
F24 F 0.67526 0.27114 0.14642 1.00000
F25 F 0.96223 0.27154 0.21983 1.00000
F26 F 0.02839 0.77347 0.75655 1.00000
F27 F 0.32471 0.01827 0.27149 1.00000
F28 F 0.78670 0.99805 0.73518 1.00000
F29 F 0.25070 0.26970 0.04440 1.00000
F30 F 0.72742 0.67802 0.95421 1.00000
F31 F 0.00406 0.99047 0.05875 1.00000
