RbLaS14
Alexandria ALEXAlex-ID: agm005756090 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_129_spg74
RbS11 LaS2 RbS13
2023-07-23 17:56:32.754474
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756090).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005756090
data_agm005756090
_cell_length_a 11.19442
_cell_length_b 11.19442
_cell_length_c 11.19442
_cell_angle_alpha 126.17443
_cell_angle_beta 106.25371
_cell_angle_gamma 97.46169
_cell_volume 1005.25121
_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
Rb1 Rb 0.67129 0.25000 0.42129 1.00000
Rb2 Rb 0.32871 0.75000 0.57871 1.00000
La1 La 0.00000 0.50000 0.00000 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
S1 S 0.70203 0.81762 0.88440 1.00000
S2 S 0.29797 0.18238 0.11560 1.00000
S3 S 0.43322 0.31762 0.11560 1.00000
S4 S 0.56678 0.68238 0.88440 1.00000
S5 S 0.02203 0.35757 0.66447 1.00000
S6 S 0.97797 0.64243 0.33553 1.00000
S7 S 0.19310 0.85757 0.33553 1.00000
S8 S 0.80690 0.14243 0.66447 1.00000
S9 S 0.18623 0.37024 0.81599 1.00000
S10 S 0.81377 0.62976 0.18401 1.00000
S11 S 0.05425 0.87024 0.18401 1.00000
S12 S 0.94575 0.12976 0.81599 1.00000
S13 S 0.68492 0.09514 0.05103 1.00000
S14 S 0.31508 0.36611 0.41022 1.00000
S15 S 0.54411 0.59514 0.41022 1.00000
S16 S 0.45589 0.86611 0.05103 1.00000
S17 S 0.31508 0.90486 0.94897 1.00000
S18 S 0.68492 0.63389 0.58978 1.00000
S19 S 0.45589 0.40486 0.58978 1.00000
S20 S 0.54411 0.13389 0.94897 1.00000
S21 S 0.29442 0.72875 0.21787 1.00000
S22 S 0.70558 0.92345 0.43433 1.00000
S23 S 0.01088 0.22875 0.43433 1.00000
S24 S 0.98912 0.42345 0.21787 1.00000
S25 S 0.70558 0.27125 0.78213 1.00000
S26 S 0.29442 0.07655 0.56567 1.00000
S27 S 0.98912 0.77125 0.56567 1.00000
S28 S 0.01088 0.57655 0.78213 1.00000
