V2Co5B2Pd
Alexandria ALEXAlex-ID: agm011362986 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_70_spg127
BPd5 VB VPd8 Co
2024-05-28 09:22:16.645259
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011362986).
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 agm011362986
data_agm011362986
_cell_length_a 8.82677
_cell_length_b 8.82677
_cell_length_c 2.80231
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 218.33340
_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
V1 V 0.68356 0.18356 0.00000 1.00000
V2 V 0.31644 0.81644 0.00000 1.00000
V3 V 0.18356 0.31644 0.00000 1.00000
V4 V 0.81644 0.68356 0.00000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
Co3 Co 0.56906 0.71333 0.50000 1.00000
Co4 Co 0.43094 0.28667 0.50000 1.00000
Co5 Co 0.06906 0.78667 0.50000 1.00000
Co6 Co 0.93094 0.21333 0.50000 1.00000
Co7 Co 0.28667 0.56906 0.50000 1.00000
Co8 Co 0.71333 0.43094 0.50000 1.00000
Co9 Co 0.21333 0.06906 0.50000 1.00000
Co10 Co 0.78667 0.93094 0.50000 1.00000
B1 B 0.13639 0.63639 0.00000 1.00000
B2 B 0.86361 0.36361 0.00000 1.00000
B3 B 0.63639 0.86361 0.00000 1.00000
B4 B 0.36361 0.13639 0.00000 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
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