Ac(GaH3)2
Alexandria ALEXAlex-ID: agm097662011 · 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
AB2C6_5141_spg2
Ac(GaH4)3 AcH3 Ga
2025-04-29 17:31:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097662011).
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 agm097662011
data_agm097662011
_cell_length_a 4.17357
_cell_length_b 4.17340
_cell_length_c 7.49763
_cell_angle_alpha 85.59537
_cell_angle_beta 85.58412
_cell_angle_gamma 67.10856
_cell_volume 119.79524
_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 0.81734 0.37324 0.18018 1.00000
Ga1 Ga 0.15722 0.71270 0.81356 1.00000
Ga2 Ga 0.66122 0.21649 0.70598 1.00000
H1 H 0.18135 0.73707 0.03364 1.00000
H2 H 0.77147 0.32642 0.50680 1.00000
H3 H 0.14195 0.69750 0.29888 1.00000
H4 H 0.89731 0.45304 0.82736 1.00000
H5 H 0.47217 0.02792 0.16984 1.00000
H6 H 0.39997 0.95562 0.71376 1.00000
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