InBiPd2
Alexandria ALEXAlex-ID: agm005689884 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_883_spg14
In3Pd5 Bi2Pd InPd
2023-07-13 08:41:45.289621
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689884).
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 agm005689884
data_agm005689884
_cell_length_a 5.71916
_cell_length_b 7.21693
_cell_length_c 16.97262
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 700.54094
_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
In1 In 0.24991 0.08430 0.93651 1.00000
In2 In 0.24991 0.58430 0.56349 1.00000
In3 In 0.74991 0.41570 0.93651 1.00000
In4 In 0.25009 0.08430 0.43651 1.00000
In5 In 0.75009 0.91570 0.06349 1.00000
In6 In 0.75009 0.41570 0.43651 1.00000
In7 In 0.25009 0.58430 0.06349 1.00000
In8 In 0.74991 0.91570 0.56349 1.00000
Bi1 Bi 0.25002 0.08790 0.68475 1.00000
Bi2 Bi 0.75002 0.91210 0.81525 1.00000
Bi3 Bi 0.24998 0.58790 0.31525 1.00000
Bi4 Bi 0.74998 0.41210 0.18475 1.00000
Bi5 Bi 0.74998 0.91210 0.31525 1.00000
Bi6 Bi 0.24998 0.08790 0.18475 1.00000
Bi7 Bi 0.75002 0.41210 0.68475 1.00000
Bi8 Bi 0.25002 0.58790 0.81525 1.00000
Pd1 Pd 0.99998 0.25003 0.81483 1.00000
Pd2 Pd 0.50002 0.75003 0.18517 1.00000
Pd3 Pd 0.49998 0.74997 0.68517 1.00000
Pd4 Pd 0.99996 0.24993 0.55613 1.00000
Pd5 Pd 0.99998 0.75003 0.68517 1.00000
Pd6 Pd 0.49998 0.24997 0.81483 1.00000
Pd7 Pd 0.50002 0.25003 0.31483 1.00000
Pd8 Pd 0.00002 0.74997 0.18517 1.00000
Pd9 Pd 0.00004 0.75007 0.44387 1.00000
Pd10 Pd 0.99996 0.74993 0.94387 1.00000
Pd11 Pd 0.49996 0.25007 0.55613 1.00000
Pd12 Pd 0.50004 0.24993 0.05613 1.00000
Pd13 Pd 0.49996 0.75007 0.94387 1.00000
Pd14 Pd 0.00004 0.25007 0.05613 1.00000
Pd15 Pd 0.50004 0.74993 0.44387 1.00000
Pd16 Pd 0.00002 0.24997 0.31483 1.00000
