Sr2Tl2Rh3
Alexandria ALEXAlex-ID: agm003312907 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_290_spg12
SrTlRh Rh
2022-02-03 23:40:57.695808
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003312907).
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 agm003312907
data_agm003312907
_cell_length_a 4.44777
_cell_length_b 6.28092
_cell_length_c 7.15967
_cell_angle_alpha 115.93698
_cell_angle_beta 90.00000
_cell_angle_gamma 110.73645
_cell_volume 165.33842
_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 0.85794 0.71589 0.22968 1.00000
Sr2 Sr 0.14206 0.28411 0.77032 1.00000
Tl1 Tl 0.84947 0.69894 0.73721 1.00000
Tl2 Tl 0.15053 0.30106 0.26279 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.57944 0.15887 0.42711 1.00000
Rh3 Rh 0.42056 0.84113 0.57289 1.00000
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