Sm20Os5Br24
Alexandria ALEXAlex-ID: agm008606405 · 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
A5B20C24_0_spg2
Sm3OsBr3 Sm6OsBr10 Sm
2024-08-26 10:37:45.793507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008606405).
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 agm008606405
data_agm008606405
_cell_length_a 11.75478
_cell_length_b 12.14561
_cell_length_c 13.69198
_cell_angle_alpha 93.90349
_cell_angle_beta 105.68234
_cell_angle_gamma 110.05054
_cell_volume 1739.80525
_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
Sm1 Sm 0.49094 0.00930 0.71410 1.00000
Sm2 Sm 0.50906 0.99070 0.28590 1.00000
Sm3 Sm 0.74705 0.98629 0.64398 1.00000
Sm4 Sm 0.25295 0.01371 0.35602 1.00000
Sm5 Sm 0.81415 0.14529 0.90868 1.00000
Sm6 Sm 0.18585 0.85471 0.09132 1.00000
Sm7 Sm 0.47424 0.24146 0.57641 1.00000
Sm8 Sm 0.52576 0.75854 0.42359 1.00000
Sm9 Sm 0.72361 0.20903 0.49916 1.00000
Sm10 Sm 0.27639 0.79097 0.50084 1.00000
Sm11 Sm 0.79539 0.47035 0.69990 1.00000
Sm12 Sm 0.20461 0.52965 0.30010 1.00000
Sm13 Sm 0.98352 0.29577 0.74939 1.00000
Sm14 Sm 0.01648 0.70423 0.25061 1.00000
Sm15 Sm 0.62574 0.31884 0.85832 1.00000
Sm16 Sm 0.37426 0.68116 0.14168 1.00000
Sm17 Sm 0.13505 0.61896 0.87698 1.00000
Sm18 Sm 0.86495 0.38104 0.12302 1.00000
Sm19 Sm 0.87615 0.61523 0.97228 1.00000
Sm20 Sm 0.12385 0.38477 0.02772 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Os2 Os 0.71046 0.21255 0.70907 1.00000
Os3 Os 0.28954 0.78745 0.29093 1.00000
Os4 Os 0.90473 0.40711 0.90196 1.00000
Os5 Os 0.09527 0.59289 0.09804 1.00000
Br1 Br 0.26896 0.79303 0.72102 1.00000
Br2 Br 0.73104 0.20697 0.27898 1.00000
Br3 Br 0.75404 0.75045 0.57879 1.00000
Br4 Br 0.24596 0.24955 0.42121 1.00000
Br5 Br 0.65846 0.88136 0.81463 1.00000
Br6 Br 0.34154 0.11864 0.18537 1.00000
Br7 Br 0.34118 0.16145 0.73033 1.00000
Br8 Br 0.65882 0.83855 0.26967 1.00000
Br9 Br 0.93851 0.12297 0.55038 1.00000
Br10 Br 0.06149 0.87703 0.44962 1.00000
Br11 Br 0.63260 0.40618 0.47077 1.00000
Br12 Br 0.36740 0.59382 0.52923 1.00000
Br13 Br 0.04043 0.11589 0.86875 1.00000
Br14 Br 0.95957 0.88411 0.13125 1.00000
Br15 Br 0.61150 0.14602 0.99802 1.00000
Br16 Br 0.38850 0.85398 0.00198 1.00000
Br17 Br 0.99701 0.21271 0.14628 1.00000
Br18 Br 0.00299 0.78729 0.85372 1.00000
Br19 Br 0.31077 0.48918 0.91533 1.00000
Br20 Br 0.68923 0.51082 0.08467 1.00000
Br21 Br 0.02373 0.49498 0.63597 1.00000
Br22 Br 0.97627 0.50502 0.36403 1.00000
Br23 Br 0.56902 0.49701 0.73899 1.00000
Br24 Br 0.43098 0.50299 0.26101 1.00000
