SmVF7
Alexandria ALEXAlex-ID: agm024124254 · 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
SmVF7
2024-09-13 16:39:03.893445
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024124254).
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 agm024124254
data_agm024124254
_cell_length_a 5.70918
_cell_length_b 5.98787
_cell_length_c 8.39779
_cell_angle_alpha 75.54071
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 277.99233
_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 0.70121 0.85514 0.20176 1.00000
Sm2 Sm 0.20121 0.14486 0.79824 1.00000
V1 V 0.70485 0.67689 0.72519 1.00000
V2 V 0.20485 0.32311 0.27481 1.00000
F1 F 0.93353 0.02008 0.99333 1.00000
F2 F 0.43353 0.97992 0.00667 1.00000
F3 F 0.45145 0.54249 0.26295 1.00000
F4 F 0.95145 0.45751 0.73705 1.00000
F5 F 0.98142 0.56698 0.25607 1.00000
F6 F 0.48142 0.43302 0.74393 1.00000
F7 F 0.95705 0.10370 0.29581 1.00000
F8 F 0.45705 0.89630 0.70419 1.00000
F9 F 0.70259 0.71878 0.49887 1.00000
F10 F 0.20259 0.28122 0.50113 1.00000
F11 F 0.70983 0.63026 0.94619 1.00000
F12 F 0.20983 0.36974 0.05381 1.00000
F13 F 0.43442 0.08502 0.30110 1.00000
F14 F 0.93442 0.91498 0.69890 1.00000
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