SmInBr3
Alexandria ALEXAlex-ID: agm002201484 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_910_spg11
SmBr3 In
2018-07-09 14:54:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201484).
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
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# CIF generated by HEAS from Alexandria entry agm002201484
data_agm002201484
_cell_length_a 3.78375
_cell_length_b 9.46162
_cell_length_c 11.09653
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 113.16996
_cell_volume 365.21839
_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
Br1 Br 0.75560 0.75151 0.45502 1.00000
Br2 Br 0.24440 0.24849 0.54498 1.00000
Br3 Br 0.24440 0.24849 0.95502 1.00000
Br4 Br 0.75560 0.75151 0.04498 1.00000
Br5 Br 0.41039 0.90703 0.75000 1.00000
Br6 Br 0.58961 0.09297 0.25000 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Sm2 Sm 0.50000 0.00000 0.50000 1.00000
In1 In 0.50847 0.52538 0.75000 1.00000
In2 In 0.49153 0.47462 0.25000 1.00000
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