Sr3(Li2Pt)2
Alexandria ALEXAlex-ID: agm005674884 · 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
A2B3C4_142_spg12
SrLi2Pt Sr4Pt Li
2023-06-27 10:02:44.199656
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674884).
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 agm005674884
data_agm005674884
_cell_length_a 4.28924
_cell_length_b 7.28878
_cell_length_c 9.38160
_cell_angle_alpha 59.12075
_cell_angle_beta 76.78549
_cell_angle_gamma 72.88830
_cell_volume 239.50288
_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 0.62885 0.14694 0.59536 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.37115 0.85306 0.40464 1.00000
Li1 Li 0.31229 0.36751 0.00791 1.00000
Li2 Li 0.84622 0.57319 0.73438 1.00000
Li3 Li 0.15378 0.42681 0.26562 1.00000
Li4 Li 0.68771 0.63249 0.99209 1.00000
Pt1 Pt 0.77883 0.21829 0.22405 1.00000
Pt2 Pt 0.22117 0.78171 0.77595 1.00000
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