Pa2GaH7
Alexandria ALEXAlex-ID: agm006201227 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_975_spg12
PaH4 Ga PaH3
2023-11-18 21:49:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201227).
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 agm006201227
data_agm006201227
_cell_length_a 3.58129
_cell_length_b 3.58140
_cell_length_c 9.26205
_cell_angle_alpha 97.33445
_cell_angle_beta 82.65550
_cell_angle_gamma 119.26313
_cell_volume 102.49292
_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
H1 H 0.83014 0.49847 0.34587 1.00000
H2 H 0.11631 0.21305 0.64782 1.00000
H3 H 0.78921 0.54018 0.62090 1.00000
H4 H 0.19767 0.13120 0.15831 1.00000
H5 H 0.47319 0.85582 0.49682 1.00000
H6 H 0.15725 0.17135 0.37281 1.00000
H7 H 0.74881 0.58030 0.83531 1.00000
Pa1 Pa 0.43330 0.89592 0.72755 1.00000
Pa2 Pa 0.51317 0.81556 0.26604 1.00000
Ga1 Ga 0.97334 0.35554 0.99673 1.00000
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