Sr2Ac7O3
Alexandria ALEXAlex-ID: agm101323934 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_730_spg1
Sr Ac2O3 Ac
2025-05-17 08:21:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101323934).
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
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# CIF generated by HEAS from Alexandria entry agm101323934
data_agm101323934
_cell_length_a 7.18374
_cell_length_b 7.27378
_cell_length_c 11.18940
_cell_angle_alpha 70.67041
_cell_angle_beta 70.83048
_cell_angle_gamma 59.65300
_cell_volume 466.71111
_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 0.63588 0.84552 0.05128 1.00000
Sr2 Sr 0.27562 0.52911 0.05054 1.00000
Ac1 Ac 0.52106 0.37900 0.39243 1.00000
Ac2 Ac 0.95069 0.15380 0.06139 1.00000
Ac3 Ac 0.84902 0.75098 0.36823 1.00000
Ac4 Ac 0.15499 0.05735 0.39930 1.00000
Ac5 Ac 0.74343 0.28304 0.70364 1.00000
Ac6 Ac 0.39736 0.96095 0.70444 1.00000
Ac7 Ac 0.07169 0.63144 0.70320 1.00000
O1 O 0.92659 0.82134 0.13305 1.00000
O2 O 0.87733 0.11042 0.29088 1.00000
O3 O 0.09634 0.97705 0.64161 1.00000
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