Pm2SmRuO8
Alexandria ALEXAlex-ID: agm004899720 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_356_spg65
Pm5(RuO6)2 Sm5(RuO6)2 PmO2 RuO4
2023-01-06 03:18:09.474286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004899720).
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 agm004899720
data_agm004899720
_cell_length_a 5.16908
_cell_length_b 5.16340
_cell_length_c 6.94118
_cell_angle_alpha 89.98859
_cell_angle_beta 90.00391
_cell_angle_gamma 90.10330
_cell_volume 185.26000
_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
Pm1 Pm 0.50002 0.49998 0.75105 1.00000
Pm2 Pm 0.49998 0.50002 0.24895 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
O1 O 0.17922 0.81916 0.20605 1.00000
O2 O 0.74176 0.74319 0.99997 1.00000
O3 O 0.82065 0.18076 0.20594 1.00000
O4 O 0.82078 0.18084 0.79395 1.00000
O5 O 0.25824 0.25681 0.00003 1.00000
O6 O 0.17935 0.81924 0.79406 1.00000
O7 O 0.69040 0.69197 0.49998 1.00000
O8 O 0.30960 0.30803 0.50002 1.00000
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