GdAs2(HO3)2
Alexandria ALEXAlex-ID: agm002280705 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_6_spg147
Gd3As5O12 GdAsO4 As2O3 H2O
2019-01-11 00:04:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002280705).
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
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# CIF generated by HEAS from Alexandria entry agm002280705
data_agm002280705
_cell_length_a 5.68772
_cell_length_b 5.68723
_cell_length_c 5.75456
_cell_angle_alpha 89.99426
_cell_angle_beta 89.99117
_cell_angle_gamma 59.99929
_cell_volume 161.20501
_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 0.66663 0.66667 0.58538 1.00000
H2 H 0.33337 0.33333 0.41462 1.00000
As1 As 0.66668 0.66666 0.31976 1.00000
As2 As 0.33332 0.33334 0.68024 1.00000
Gd1 Gd 0.00000 0.00000 0.00000 1.00000
O1 O 0.92991 0.70916 0.22795 1.00000
O2 O 0.36098 0.92990 0.22794 1.00000
O3 O 0.70916 0.36096 0.22791 1.00000
O4 O 0.07009 0.29084 0.77205 1.00000
O5 O 0.63902 0.07010 0.77206 1.00000
O6 O 0.29084 0.63904 0.77209 1.00000
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