SrSnP3RhO12
Alexandria ALEXAlex-ID: agm010955845 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3E12_6_spg148
Sr2P2O7 SnP2O7 Rh RhO2
2024-12-31 15:51:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010955845).
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 agm010955845
data_agm010955845
_cell_length_a 9.15256
_cell_length_b 9.15256
_cell_length_c 9.15256
_cell_angle_alpha 54.91187
_cell_angle_beta 54.91187
_cell_angle_gamma 54.91187
_cell_volume 477.93700
_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
Sr2 Sr 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.35191 0.35191 0.35191 1.00000
Sn2 Sn 0.64809 0.64809 0.64809 1.00000
P1 P 0.95941 0.53862 0.24606 1.00000
P2 P 0.75394 0.04059 0.46138 1.00000
P3 P 0.46138 0.75394 0.04059 1.00000
P4 P 0.24606 0.95941 0.53862 1.00000
P5 P 0.04059 0.46138 0.75394 1.00000
P6 P 0.53862 0.24606 0.95941 1.00000
Rh1 Rh 0.84976 0.84976 0.84976 1.00000
Rh2 Rh 0.15024 0.15024 0.15024 1.00000
O1 O 0.48090 0.70443 0.89257 1.00000
O2 O 0.29557 0.10743 0.51910 1.00000
O3 O 0.96688 0.35149 0.27661 1.00000
O4 O 0.98490 0.69515 0.04220 1.00000
O5 O 0.35149 0.27661 0.96688 1.00000
O6 O 0.75556 0.61902 0.38965 1.00000
O7 O 0.51910 0.29557 0.10743 1.00000
O8 O 0.24444 0.38098 0.61035 1.00000
O9 O 0.61035 0.24444 0.38098 1.00000
O10 O 0.38098 0.61035 0.24444 1.00000
O11 O 0.30485 0.95780 0.01510 1.00000
O12 O 0.61902 0.38965 0.75556 1.00000
O13 O 0.95780 0.01510 0.30485 1.00000
O14 O 0.01510 0.30485 0.95780 1.00000
O15 O 0.38965 0.75556 0.61902 1.00000
O16 O 0.89257 0.48090 0.70443 1.00000
O17 O 0.64851 0.72339 0.03312 1.00000
O18 O 0.04220 0.98490 0.69515 1.00000
O19 O 0.72339 0.03312 0.64851 1.00000
O20 O 0.69515 0.04220 0.98490 1.00000
O21 O 0.03312 0.64851 0.72339 1.00000
O22 O 0.27661 0.96688 0.35149 1.00000
O23 O 0.70443 0.89257 0.48090 1.00000
O24 O 0.10743 0.51910 0.29557 1.00000
