CrH7(RuPt)2
Alexandria ALEXAlex-ID: agm006432130 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_506_spg8
H10Pt CrH2Ru Cr3Pt5 Ru
2024-03-04 01:22:59.186843
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006432130).
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 agm006432130
data_agm006432130
_cell_length_a 3.18395
_cell_length_b 5.70026
_cell_length_c 6.94644
_cell_angle_alpha 123.19276
_cell_angle_beta 103.28455
_cell_angle_gamma 89.91241
_cell_volume 101.47668
_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
Cr1 Cr 0.88046 0.28316 0.69985 1.00000
H1 H 0.47280 0.46282 0.88535 1.00000
H2 H 0.11749 0.55742 0.17499 1.00000
H3 H 0.83948 0.88804 0.61898 1.00000
H4 H 0.33089 0.56408 0.59869 1.00000
H5 H 0.68859 0.03236 0.31366 1.00000
H6 H 0.92956 0.68769 0.79737 1.00000
H7 H 0.44045 0.03262 0.82390 1.00000
Ru1 Ru 0.48916 0.78088 0.91668 1.00000
Ru2 Ru 0.28065 0.82396 0.50128 1.00000
Pt1 Pt 0.58262 0.38174 0.10442 1.00000
Pt2 Pt 0.19542 0.17840 0.32840 1.00000
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