Ac2HPt2
Alexandria ALEXAlex-ID: agm007202001 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_52_spg11
AcH2Pt AcPt
2024-06-24 12:10:37.898945
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007202001).
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 agm007202001
data_agm007202001
_cell_length_a 4.79844
_cell_length_b 6.16307
_cell_length_c 8.28905
_cell_angle_alpha 69.71789
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 229.93404
_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
Ac1 Ac 0.25000 0.27122 0.92685 1.00000
Ac2 Ac 0.25000 0.26707 0.42682 1.00000
Ac3 Ac 0.75000 0.72878 0.07315 1.00000
Ac4 Ac 0.75000 0.73293 0.57318 1.00000
H1 H 0.75000 0.36867 0.48844 1.00000
H2 H 0.25000 0.63133 0.51156 1.00000
Pt1 Pt 0.75000 0.17709 0.70710 1.00000
Pt2 Pt 0.25000 0.82291 0.29290 1.00000
Pt3 Pt 0.75000 0.16540 0.19957 1.00000
Pt4 Pt 0.25000 0.83460 0.80043 1.00000
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