Ca2AgH7
Alexandria ALEXAlex-ID: agm006200436 · 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_484_spg166
CaH10 Ag CaH2
2023-10-28 04:15:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200436).
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 agm006200436
data_agm006200436
_cell_length_a 5.28817
_cell_length_b 5.28810
_cell_length_c 7.49038
_cell_angle_alpha 114.87053
_cell_angle_beta 65.11661
_cell_angle_gamma 128.01412
_cell_volume 145.83886
_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 0.11029 0.73360 0.14946 1.00000
H2 H 0.83621 0.97784 0.84413 1.00000
H3 H 0.35139 0.49301 0.84418 1.00000
H4 H 0.14206 0.18676 0.13055 1.00000
H5 H 0.47315 0.85565 0.49684 1.00000
H6 H 0.59521 0.21853 0.14943 1.00000
H7 H 0.80440 0.52474 0.86315 1.00000
Ca1 Ca 0.35777 0.97140 0.81180 1.00000
Ca2 Ca 0.58863 0.74012 0.18187 1.00000
Ag1 Ag 0.97328 0.35574 0.99676 1.00000
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