SrEr2Th7
Alexandria ALEXAlex-ID: agm012749692 · 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
AB2C7_330_spg12
Er2Th Sr Th
2024-07-13 21:12:44.548939
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012749692).
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 agm012749692
data_agm012749692
_cell_length_a 8.98593
_cell_length_b 8.98593
_cell_length_c 11.79448
_cell_angle_alpha 69.34284
_cell_angle_beta 69.34284
_cell_angle_gamma 22.24483
_cell_volume 336.42611
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.28479 0.28479 0.11573 1.00000
Er2 Er 0.71521 0.71521 0.88427 1.00000
Th1 Th 0.69741 0.69741 0.40512 1.00000
Th2 Th 0.30259 0.30259 0.59488 1.00000
Th3 Th 0.89548 0.89548 0.31520 1.00000
Th4 Th 0.10452 0.10452 0.68480 1.00000
Th5 Th 0.59225 0.59225 0.21401 1.00000
Th6 Th 0.40775 0.40775 0.78599 1.00000
Th7 Th 0.00000 0.00000 0.50000 1.00000
获取直接链接