Zr3(AlBi)2
Alexandria ALEXAlex-ID: agm010099322 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_21_spg12
ZrAl2 ZrBi
2024-06-28 15:43:30.316625
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010099322).
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 agm010099322
data_agm010099322
_cell_length_a 3.24088
_cell_length_b 7.53225
_cell_length_c 8.30734
_cell_angle_alpha 124.35796
_cell_angle_beta 101.20630
_cell_angle_gamma 77.64641
_cell_volume 162.85113
_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
Zr1 Zr 0.50000 0.00000 0.00000 1.00000
Zr2 Zr 0.62430 0.19958 0.45029 1.00000
Zr3 Zr 0.37570 0.80042 0.54971 1.00000
Al1 Al 0.05636 0.59081 0.70386 1.00000
Al2 Al 0.94364 0.40919 0.29614 1.00000
Bi1 Bi 0.19770 0.76458 0.16461 1.00000
Bi2 Bi 0.80230 0.23542 0.83539 1.00000
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