LiPr2SmTe5
Alexandria ALEXAlex-ID: agm005160396 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_211_spg36
LiSmTe2 Pr2Te3
2023-01-16 03:51:05.581771
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005160396).
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 agm005160396
data_agm005160396
_cell_length_a 4.45484
_cell_length_b 9.72195
_cell_length_c 13.33987
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.24483
_cell_volume 562.37830
_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
Li1 Li 0.55578 0.11155 0.96435 1.00000
Li2 Li 0.44422 0.88845 0.46435 1.00000
Pr1 Pr 0.87433 0.74865 0.80197 1.00000
Pr2 Pr 0.10605 0.21209 0.68501 1.00000
Pr3 Pr 0.12567 0.25135 0.30197 1.00000
Pr4 Pr 0.89395 0.78791 0.18501 1.00000
Sm1 Sm 0.80131 0.60263 0.50766 1.00000
Sm2 Sm 0.19869 0.39737 0.00766 1.00000
Te1 Te 0.36403 0.72805 0.99790 1.00000
Te2 Te 0.68696 0.37391 0.84283 1.00000
Te3 Te 0.49851 0.99701 0.78213 1.00000
Te4 Te 0.28350 0.56701 0.66960 1.00000
Te5 Te 0.95301 0.90602 0.57251 1.00000
Te6 Te 0.63597 0.27195 0.49790 1.00000
Te7 Te 0.31304 0.62609 0.34283 1.00000
Te8 Te 0.50149 0.00299 0.28213 1.00000
Te9 Te 0.71650 0.43299 0.16960 1.00000
Te10 Te 0.04699 0.09398 0.07251 1.00000
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