Pm8H4Au
Alexandria ALEXAlex-ID: agm097632477 · 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
AB4C8_1674_spg1
PmH2 Pm2Au Pm
2025-06-15 23:19:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097632477).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm097632477
data_agm097632477
_cell_length_a 3.75736
_cell_length_b 9.49161
_cell_length_c 10.24218
_cell_angle_alpha 57.87692
_cell_angle_beta 79.54385
_cell_angle_gamma 78.72962
_cell_volume 302.05976
_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 0.74311 0.18806 0.01977 1.00000
Pm2 Pm 0.85483 0.67560 0.30515 1.00000
Pm3 Pm 0.66957 0.65310 0.69886 1.00000
Pm4 Pm 0.97671 0.98341 0.75113 1.00000
Pm5 Pm 0.17544 0.95467 0.38638 1.00000
Pm6 Pm 0.51606 0.27780 0.38177 1.00000
Pm7 Pm 0.33642 0.35562 0.66260 1.00000
Pm8 Pm 0.05888 0.55024 0.03153 1.00000
H1 H 0.84807 0.21042 0.78402 1.00000
H2 H 0.63327 0.46521 0.96612 1.00000
H3 H 0.26859 0.65717 0.49838 1.00000
H4 H 0.04225 0.12525 0.48135 1.00000
Au1 Au 0.37680 0.90344 0.03295 1.00000
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