SrEr2TlO6
Alexandria ALEXAlex-ID: agm004952467 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_266_spg146
SrO3 SrTl2O4 Sr2Tl2O5 Er2O3
2022-07-31 08:59:26.631976
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004952467).
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 agm004952467
data_agm004952467
_cell_length_a 5.87880
_cell_length_b 5.87848
_cell_length_c 6.19078
_cell_angle_alpha 61.64990
_cell_angle_beta 61.65079
_cell_angle_gamma 60.00196
_cell_volume 154.94776
_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
Sr1 Sr 0.79273 0.79280 0.62167 1.00000
Er1 Er 0.52235 0.52243 0.43282 1.00000
Er2 Er 0.01440 0.01440 0.95680 1.00000
Tl1 Tl 0.30702 0.30699 0.07904 1.00000
O1 O 0.62433 0.23393 0.23504 1.00000
O2 O 0.23401 0.90676 0.23495 1.00000
O3 O 0.90678 0.62424 0.23512 1.00000
O4 O 0.36053 0.72678 0.73996 1.00000
O5 O 0.72680 0.17270 0.73994 1.00000
O6 O 0.17266 0.36058 0.73987 1.00000
获取直接链接