K2Sm(AsO3)2
Alexandria ALEXAlex-ID: agm004572012 · 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
AB2C2D6_0_spg12
K3Sm(AsO3)2 SmAsO4 KAsO2
2022-06-24 14:12:03.613665
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004572012).
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 agm004572012
data_agm004572012
_cell_length_a 6.06253
_cell_length_b 5.83529
_cell_length_c 7.30556
_cell_angle_alpha 112.27884
_cell_angle_beta 90.00000
_cell_angle_gamma 121.29675
_cell_volume 197.91337
_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
K1 K 0.70753 0.41506 0.17452 1.00000
K2 K 0.29247 0.58494 0.82548 1.00000
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
As1 As 0.93725 0.87451 0.78231 1.00000
As2 As 0.06275 0.12549 0.21769 1.00000
O1 O 0.75404 0.50809 0.58347 1.00000
O2 O 0.20102 0.93623 0.24940 1.00000
O3 O 0.26479 0.06377 0.75060 1.00000
O4 O 0.79898 0.06377 0.75060 1.00000
O5 O 0.73521 0.93623 0.24940 1.00000
O6 O 0.24596 0.49191 0.41653 1.00000
获取直接链接