PrVB14
Alexandria ALEXAlex-ID: agm005755337 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
PrB6 VB2 B
2023-07-18 14:14:13.514917
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755337).
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 agm005755337
data_agm005755337
_cell_length_a 5.84625
_cell_length_b 7.43026
_cell_length_c 7.43026
_cell_angle_alpha 67.74167
_cell_angle_beta 66.83327
_cell_angle_gamma 66.83327
_cell_volume 263.05416
_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
Pr1 Pr 0.25000 0.38141 0.11859 1.00000
Pr2 Pr 0.75000 0.61859 0.88141 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
B1 B 0.66698 0.36221 0.30383 1.00000
B2 B 0.33302 0.63779 0.69617 1.00000
B3 B 0.16698 0.80383 0.86221 1.00000
B4 B 0.83302 0.19617 0.13779 1.00000
B5 B 0.12623 0.24041 0.50713 1.00000
B6 B 0.87377 0.75959 0.49287 1.00000
B7 B 0.62623 0.00713 0.74041 1.00000
B8 B 0.37377 0.99287 0.25959 1.00000
B9 B 0.08395 0.08378 0.74833 1.00000
B10 B 0.91605 0.91622 0.25167 1.00000
B11 B 0.58395 0.24833 0.58378 1.00000
B12 B 0.41605 0.75167 0.41622 1.00000
B13 B 0.72154 0.59958 0.27854 1.00000
B14 B 0.59966 0.40042 0.72146 1.00000
B15 B 0.22154 0.77854 0.09958 1.00000
B16 B 0.09966 0.22146 0.90042 1.00000
B17 B 0.27846 0.40042 0.72146 1.00000
B18 B 0.40034 0.59958 0.27854 1.00000
B19 B 0.77846 0.22146 0.90042 1.00000
B20 B 0.90034 0.77854 0.09958 1.00000
B21 B 0.32619 0.97210 0.87283 1.00000
B22 B 0.17112 0.02790 0.12717 1.00000
B23 B 0.82619 0.37283 0.47210 1.00000
B24 B 0.67112 0.62717 0.52790 1.00000
B25 B 0.67381 0.02790 0.12717 1.00000
B26 B 0.82888 0.97210 0.87283 1.00000
B27 B 0.17381 0.62717 0.52790 1.00000
B28 B 0.32888 0.37283 0.47210 1.00000
