Hf3(VP2)2
Alexandria ALEXAlex-ID: agm003340263 · 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_33_spg2
V12P7 HfVP HfP
2022-01-30 01:04:09.732715
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340263).
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 agm003340263
data_agm003340263
_cell_length_a 3.50543
_cell_length_b 6.31024
_cell_length_c 8.11772
_cell_angle_alpha 121.76665
_cell_angle_beta 90.00000
_cell_angle_gamma 106.12637
_cell_volume 144.28896
_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
Hf1 Hf 0.62892 0.25785 0.71235 1.00000
Hf2 Hf 0.00000 0.00000 0.00000 1.00000
Hf3 Hf 0.37108 0.74215 0.28765 1.00000
V1 V 0.68884 0.37768 0.36505 1.00000
V2 V 0.31116 0.62232 0.63495 1.00000
P1 P 0.67992 0.35983 0.07001 1.00000
P2 P 0.32008 0.64017 0.92999 1.00000
P3 P 0.93003 0.86006 0.60332 1.00000
P4 P 0.06997 0.13994 0.39668 1.00000
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