Pa2CrSnO8
Alexandria ALEXAlex-ID: agm004900527 · 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
ABC2D8_355_spg12
Sn3O4 Pa2O5 PaCrO4 SnO2
2023-01-06 07:07:15.313371
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900527).
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 agm004900527
data_agm004900527
_cell_length_a 4.88394
_cell_length_b 4.88246
_cell_length_c 7.12041
_cell_angle_alpha 91.96325
_cell_angle_beta 88.02412
_cell_angle_gamma 91.01972
_cell_volume 169.56666
_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
Pa1 Pa 0.48911 0.51098 0.75249 1.00000
Pa2 Pa 0.51089 0.48902 0.24751 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
O1 O 0.21001 0.79067 0.28442 1.00000
O2 O 0.69397 0.69365 0.00003 1.00000
O3 O 0.82121 0.17859 0.26019 1.00000
O4 O 0.78999 0.20933 0.71558 1.00000
O5 O 0.30603 0.30635 0.99997 1.00000
O6 O 0.17879 0.82141 0.73981 1.00000
O7 O 0.69478 0.69426 0.49995 1.00000
O8 O 0.30522 0.30574 0.50005 1.00000
获取直接链接