Sm(VH4)2
Alexandria ALEXAlex-ID: agm091124645 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_151_spg12
SmH3 VH2 H2
2025-05-27 08:51:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091124645).
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
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# CIF generated by HEAS from Alexandria entry agm091124645
data_agm091124645
_cell_length_a 5.75013
_cell_length_b 5.75013
_cell_length_c 5.75013
_cell_angle_alpha 147.66129
_cell_angle_beta 129.22990
_cell_angle_gamma 61.48856
_cell_volume 78.02972
_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 0.00000 0.50000 0.50000 1.00000
V1 V 0.67753 0.17753 0.50000 1.00000
V2 V 0.32247 0.82247 0.50000 1.00000
H1 H 0.53700 0.33204 0.20496 1.00000
H2 H 0.46300 0.66796 0.79504 1.00000
H3 H 0.12709 0.33204 0.79504 1.00000
H4 H 0.87291 0.66796 0.20496 1.00000
H5 H 0.17416 0.17416 0.00000 1.00000
H6 H 0.82584 0.82584 0.00000 1.00000
H7 H 0.32348 1.00000 0.32348 1.00000
H8 H 0.67652 0.00000 0.67652 1.00000
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