PmAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007473201 · 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
ABC2D8_560_spg12
PmH5Pt H2 AlPt
2025-05-28 03:31:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007473201).
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 agm007473201
data_agm007473201
_cell_length_a 4.45480
_cell_length_b 4.64775
_cell_length_c 6.62554
_cell_angle_alpha 80.72660
_cell_angle_beta 102.89888
_cell_angle_gamma 117.70795
_cell_volume 118.12338
_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
Pm1 Pm 0.04665 0.51996 0.49022 1.00000
Al1 Al 0.83796 0.69847 0.97023 1.00000
H1 H 0.44585 0.29235 0.55356 1.00000
H2 H 0.30760 0.35421 0.88137 1.00000
H3 H 0.68998 0.78341 0.44766 1.00000
H4 H 0.21574 0.63351 0.15679 1.00000
H5 H 0.52132 0.18042 0.28961 1.00000
H6 H 0.68368 0.97822 0.72836 1.00000
H7 H 0.04097 0.16633 0.21563 1.00000
H8 H 0.08998 0.80571 0.76205 1.00000
Pt1 Pt 0.63690 0.92566 0.20358 1.00000
Pt2 Pt 0.48337 0.16175 0.80093 1.00000
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