Ag2B5Pt12
Alexandria ALEXAlex-ID: agm005644744 · 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
A2B5C12_271_spg12
AgBPt3 BPt2
2023-06-23 02:20:53.021672
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644744).
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 agm005644744
data_agm005644744
_cell_length_a 5.61368
_cell_length_b 6.53282
_cell_length_c 8.36728
_cell_angle_alpha 81.68188
_cell_angle_beta 89.99999
_cell_angle_gamma 115.44547
_cell_volume 273.50894
_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
Ag1 Ag 0.75034 1.00000 1.00000 1.00000
Ag2 Ag 0.24966 0.00000 0.00000 1.00000
B1 B 0.27029 0.54057 0.60616 1.00000
B2 B 0.32727 0.65454 0.95815 1.00000
B3 B 0.00000 0.00000 0.50000 1.00000
B4 B 0.67273 0.34546 0.04185 1.00000
B5 B 0.72971 0.45943 0.39384 1.00000
Pt1 Pt 0.07093 0.14186 0.26467 1.00000
Pt2 Pt 0.97350 0.44717 0.84742 1.00000
Pt3 Pt 0.47366 0.44717 0.84742 1.00000
Pt4 Pt 0.11703 0.73433 0.43383 1.00000
Pt5 Pt 0.61730 0.73433 0.43383 1.00000
Pt6 Pt 0.42819 0.85638 0.71601 1.00000
Pt7 Pt 0.57181 0.14362 0.28399 1.00000
Pt8 Pt 0.88297 0.26567 0.56617 1.00000
Pt9 Pt 0.38270 0.26567 0.56617 1.00000
Pt10 Pt 0.02650 0.55283 0.15258 1.00000
Pt11 Pt 0.52634 0.55283 0.15258 1.00000
Pt12 Pt 0.92907 0.85814 0.73533 1.00000
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