SmV(H3Pt)2
Alexandria ALEXAlex-ID: agm007670685 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_236_spg2
SmH5Pt VH2 Sm(HPt)3
2024-03-16 00:46:16.104711
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007670685).
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 agm007670685
data_agm007670685
_cell_length_a 4.58610
_cell_length_b 4.41238
_cell_length_c 5.52614
_cell_angle_alpha 86.19710
_cell_angle_beta 87.03799
_cell_angle_gamma 103.17512
_cell_volume 108.38474
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.71822 0.75529 0.24686 1.00000
H2 H 0.24761 0.24160 0.22474 1.00000
H3 H 0.15542 0.68891 0.86981 1.00000
H4 H 0.28178 0.24471 0.75314 1.00000
H5 H 0.75239 0.75840 0.77526 1.00000
H6 H 0.84458 0.31109 0.13019 1.00000
Pt1 Pt 0.49334 0.01523 0.24772 1.00000
Pt2 Pt 0.50666 0.98477 0.75228 1.00000
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