LaS8
Alexandria ALEXAlex-ID: agm047470182 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_276_spg4
LaS2 LaS10
2025-01-29 16:36:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047470182).
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 agm047470182
data_agm047470182
_cell_length_a 11.58388
_cell_length_b 3.77203
_cell_length_c 17.55946
_cell_angle_alpha 90.00000
_cell_angle_beta 130.16817
_cell_angle_gamma 90.00000
_cell_volume 586.30173
_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
La1 La 0.50000 0.50000 0.00000 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
S1 S 0.71614 0.48049 0.49463 1.00000
S2 S 0.28386 0.98049 0.00537 1.00000
S3 S 0.71614 0.01951 0.99463 1.00000
S4 S 0.28386 0.51951 0.50537 1.00000
S5 S 0.18242 0.92433 0.40994 1.00000
S6 S 0.40142 0.03942 0.29816 1.00000
S7 S 0.69827 0.94388 0.19089 1.00000
S8 S 0.30173 0.44388 0.30911 1.00000
S9 S 0.59858 0.53942 0.20184 1.00000
S10 S 0.81758 0.42433 0.09006 1.00000
S11 S 0.81758 0.07567 0.59006 1.00000
S12 S 0.59858 0.96058 0.70184 1.00000
S13 S 0.30173 0.05612 0.80911 1.00000
S14 S 0.69827 0.55612 0.69089 1.00000
S15 S 0.40142 0.46058 0.79816 1.00000
S16 S 0.18242 0.57567 0.90994 1.00000
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