AlH7(RuPt)2
Alexandria ALEXAlex-ID: agm006423331 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_152_spg44
Al3Pt5 H8Ru3 H10Pt AlPt2
2024-02-28 22:05:18.396911
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006423331).
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}
}
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# CIF generated by HEAS from Alexandria entry agm006423331
data_agm006423331
_cell_length_a 7.99645
_cell_length_b 7.99645
_cell_length_c 7.99645
_cell_angle_alpha 157.18760
_cell_angle_beta 146.95324
_cell_angle_gamma 40.53536
_cell_volume 107.91444
_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
Al1 Al 0.83416 0.00000 0.83416 1.00000
H1 H 0.09999 0.60785 0.49215 1.00000
H2 H 0.16340 0.20093 0.96246 1.00000
H3 H 0.35474 0.91079 0.44395 1.00000
H4 H 0.88430 0.39215 0.49215 1.00000
H5 H 0.76153 0.79907 0.96246 1.00000
H6 H 0.53317 0.08921 0.44395 1.00000
H7 H 0.41745 0.50000 0.91745 1.00000
Ru1 Ru 0.71504 0.60559 0.10945 1.00000
Ru2 Ru 0.50386 0.39441 0.10945 1.00000
Pt1 Pt 0.34221 0.72619 0.61602 1.00000
Pt2 Pt 0.88983 0.27381 0.61602 1.00000
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