Pm2Sm3P4
Alexandria ALEXAlex-ID: agm005690002 · 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
A2B3C4_761_spg12
Pm6P5 Sm6P5 Pm
2023-06-27 23:07:44.618214
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690002).
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 agm005690002
data_agm005690002
_cell_length_a 4.09122
_cell_length_b 7.08155
_cell_length_c 9.14514
_cell_angle_alpha 75.17995
_cell_angle_beta 77.07456
_cell_angle_gamma 73.21000
_cell_volume 241.98816
_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 0.60316 0.18682 0.60687 1.00000
Pm2 Pm 0.39684 0.81318 0.39313 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.20337 0.40097 0.19230 1.00000
Sm3 Sm 0.79663 0.59903 0.80770 1.00000
P1 P 0.79812 0.10084 0.30293 1.00000
P2 P 0.20188 0.89916 0.69707 1.00000
P3 P 0.39951 0.30183 0.89914 1.00000
P4 P 0.60049 0.69817 0.10086 1.00000
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