NaSrSmMg(SiO3)4
Alexandria ALEXAlex-ID: agm010537271 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCDE4F12_1_spg5
NaSr3Sm3(Si3O10)2 Na2Mg2(Si2O5)3 Na2Si2O5 Mg2SiO4
2024-04-08 06:15:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010537271).
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 agm010537271
data_agm010537271
_cell_length_a 6.98731
_cell_length_b 6.98731
_cell_length_c 5.37342
_cell_angle_alpha 79.71764
_cell_angle_beta 79.71764
_cell_angle_gamma 87.00390
_cell_volume 253.92848
_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
Na1 Na 0.31702 0.68298 0.50000 1.00000
Sr1 Sr 0.68829 0.31171 0.00000 1.00000
Sm1 Sm 0.10680 0.89320 0.00000 1.00000
Mg1 Mg 0.89374 0.10626 0.50000 1.00000
Si1 Si 0.80106 0.62494 0.48246 1.00000
Si2 Si 0.37506 0.19894 0.51754 1.00000
Si3 Si 0.19635 0.36908 0.02607 1.00000
Si4 Si 0.63092 0.80365 0.97393 1.00000
O1 O 0.68624 0.64212 0.22716 1.00000
O2 O 0.35788 0.31376 0.77284 1.00000
O3 O 0.33225 0.36423 0.25730 1.00000
O4 O 0.63577 0.66775 0.74270 1.00000
O5 O 0.87111 0.40156 0.55458 1.00000
O6 O 0.59844 0.12889 0.44542 1.00000
O7 O 0.12138 0.58612 0.93314 1.00000
O8 O 0.41388 0.87862 0.06686 1.00000
O9 O 0.95445 0.80133 0.41951 1.00000
O10 O 0.19867 0.04555 0.58049 1.00000
O11 O 0.02721 0.20650 0.11930 1.00000
O12 O 0.79350 0.97279 0.88070 1.00000
获取直接链接