Al2CuH6Pt
Alexandria ALEXAlex-ID: agm007240850 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_2435_spg1
CuH4 AlH9 AlCu3 Al3Pt2
2024-02-09 11:05:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007240850).
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 agm007240850
data_agm007240850
_cell_length_a 4.46310
_cell_length_b 5.46481
_cell_length_c 4.95185
_cell_angle_alpha 84.59947
_cell_angle_beta 87.24372
_cell_angle_gamma 84.03640
_cell_volume 119.49927
_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 0.55179 0.60426 0.19510 1.00000
Al2 Al 0.26542 0.37844 0.65989 1.00000
Cu1 Cu 0.18335 0.82300 0.86516 1.00000
H1 H 0.33606 0.37007 0.30486 1.00000
H2 H 0.81577 0.87274 0.76396 1.00000
H3 H 0.85777 0.66162 0.38331 1.00000
H4 H 0.69463 0.28466 0.73178 1.00000
H5 H 0.28078 0.07455 0.68614 1.00000
H6 H 0.27881 0.84822 0.18511 1.00000
Pt1 Pt 0.74056 0.58142 0.71870 1.00000
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