PrVF7
Alexandria ALEXAlex-ID: agm024109301 · 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
PrVF7
2024-09-26 06:27:27.625601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024109301).
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 agm024109301
data_agm024109301
_cell_length_a 5.74380
_cell_length_b 6.09893
_cell_length_c 8.42539
_cell_angle_alpha 76.92736
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 287.50115
_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 0.70097 0.84407 0.69664 1.00000
Pr2 Pr 0.20097 0.15593 0.30336 1.00000
V1 V 0.70962 0.68746 0.22322 1.00000
V2 V 0.20962 0.31254 0.77678 1.00000
F1 F 0.89346 0.05667 0.47925 1.00000
F2 F 0.39346 0.94333 0.52075 1.00000
F3 F 0.45051 0.52897 0.76844 1.00000
F4 F 0.95051 0.47103 0.23156 1.00000
F5 F 0.98347 0.54902 0.75290 1.00000
F6 F 0.48347 0.45098 0.24710 1.00000
F7 F 0.97231 0.09080 0.79361 1.00000
F8 F 0.47231 0.90920 0.20639 1.00000
F9 F 0.70150 0.72152 0.99988 1.00000
F10 F 0.20150 0.27848 0.00012 1.00000
F11 F 0.72129 0.64629 0.44462 1.00000
F12 F 0.22129 0.35371 0.55538 1.00000
F13 F 0.44323 0.08545 0.80279 1.00000
F14 F 0.94323 0.91455 0.19721 1.00000
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