Sr4Ca8V
Alexandria ALEXAlex-ID: agm097444622 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1348_spg8
Sr Ca V
2025-06-07 07:59:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097444622).
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 agm097444622
data_agm097444622
_cell_length_a 4.04222
_cell_length_b 12.94500
_cell_length_c 13.44333
_cell_angle_alpha 55.55833
_cell_angle_beta 81.43034
_cell_angle_gamma 90.00435
_cell_volume 570.57766
_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
Sr1 Sr 0.06755 0.04672 0.94382 1.00000
Sr2 Sr 0.03070 0.46463 0.00991 1.00000
Sr3 Sr 0.30618 0.53227 0.46885 1.00000
Sr4 Sr 0.79422 0.03012 0.47898 1.00000
Ca1 Ca 0.45819 0.12705 0.15884 1.00000
Ca2 Ca 0.96002 0.66262 0.15780 1.00000
Ca3 Ca 0.20771 0.70267 0.66123 1.00000
Ca4 Ca 0.72888 0.20817 0.62596 1.00000
Ca5 Ca 0.85902 0.82753 0.36226 1.00000
Ca6 Ca 0.37861 0.34613 0.31661 1.00000
Ca7 Ca 0.64384 0.38627 0.79087 1.00000
Ca8 Ca 0.61291 0.82167 0.85055 1.00000
V1 V 0.45217 0.84417 0.17432 1.00000
获取直接链接