SrAc6La5
Alexandria ALEXAlex-ID: agm006116574 · 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
AB5C6_48_spg12
AcLa11 Sr Ac
2023-09-09 06:39:25.660504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116574).
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 agm006116574
data_agm006116574
_cell_length_a 6.78405
_cell_length_b 8.70550
_cell_length_c 8.70550
_cell_angle_alpha 84.98850
_cell_angle_beta 97.45247
_cell_angle_gamma 97.45248
_cell_volume 504.18222
_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
Ac1 Ac 0.74741 0.91575 0.57310 1.00000
Ac2 Ac 0.25259 0.42690 0.08425 1.00000
Ac3 Ac 0.25925 0.74795 0.74795 1.00000
Ac4 Ac 0.74075 0.25205 0.25205 1.00000
Ac5 Ac 0.74741 0.57310 0.91575 1.00000
Ac6 Ac 0.25259 0.08425 0.42690 1.00000
La1 La 0.50000 0.82483 0.17517 1.00000
La2 La 1.00000 0.66084 0.33916 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
La4 La 0.00000 0.33916 0.66084 1.00000
La5 La 0.50000 0.17517 0.82483 1.00000
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