Er(AgH4)3
Alexandria ALEXAlex-ID: agm075892891 · 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
AB3C12_1210_spg1
ErH3 H2 Ag
2025-06-13 11:19:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075892891).
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 agm075892891
data_agm075892891
_cell_length_a 5.98460
_cell_length_b 6.03567
_cell_length_c 6.09671
_cell_angle_alpha 115.52361
_cell_angle_beta 106.90561
_cell_angle_gamma 106.75500
_cell_volume 166.90689
_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
Er1 Er 0.01033 0.96056 0.99956 1.00000
Ag1 Ag 0.08585 0.28241 0.69270 1.00000
Ag2 Ag 0.56203 0.27890 0.49424 1.00000
Ag3 Ag 0.56882 0.72559 0.24873 1.00000
H1 H 0.17918 0.78193 0.70270 1.00000
H2 H 0.83807 0.75983 0.15833 1.00000
H3 H 0.30201 0.35355 0.05808 1.00000
H4 H 0.58288 0.82863 0.76341 1.00000
H5 H 0.90538 0.52199 0.72444 1.00000
H6 H 0.21005 0.92122 0.71429 1.00000
H7 H 0.57685 0.80412 0.87867 1.00000
H8 H 0.89678 0.31472 0.20512 1.00000
H9 H 0.81117 0.96059 0.64407 1.00000
H10 H 0.87770 0.31117 0.07291 1.00000
H11 H 0.35791 0.91049 0.18639 1.00000
H12 H 0.23500 0.28429 0.45636 1.00000
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