SmPbF7
Alexandria ALEXAlex-ID: agm024226875 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
SmPbF7
2024-08-26 01:35:15.007231
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024226875).
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 agm024226875
data_agm024226875
_cell_length_a 5.94011
_cell_length_b 6.22420
_cell_length_c 8.50929
_cell_angle_alpha 77.27998
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 306.88803
_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
Sm1 Sm 0.75672 0.15495 0.31086 1.00000
Sm2 Sm 0.25672 0.84505 0.68914 1.00000
Pb1 Pb 0.76005 0.31255 0.77292 1.00000
Pb2 Pb 0.26005 0.68745 0.22708 1.00000
F1 F 0.48821 0.00896 0.49075 1.00000
F2 F 0.98821 0.99104 0.50925 1.00000
F3 F 0.47177 0.41300 0.23968 1.00000
F4 F 0.97177 0.58700 0.76032 1.00000
F5 F 0.75315 0.27129 0.02282 1.00000
F6 F 0.25315 0.72871 0.97718 1.00000
F7 F 0.99240 0.46061 0.23943 1.00000
F8 F 0.49240 0.53939 0.76057 1.00000
F9 F 0.55017 0.88776 0.20797 1.00000
F10 F 0.05017 0.11224 0.79203 1.00000
F11 F 0.53778 0.04380 0.79966 1.00000
F12 F 0.03778 0.95620 0.20034 1.00000
F13 F 0.75165 0.37192 0.52143 1.00000
F14 F 0.25165 0.62808 0.47857 1.00000
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