Ca2In2Ag
Alexandria ALEXAlex-ID: agm003403262 · 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
AB2C2_33_spg12
CaInAg CaIn
2022-02-09 20:00:48.914752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403262).
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 agm003403262
data_agm003403262
_cell_length_a 4.75854
_cell_length_b 6.17230
_cell_length_c 10.59771
_cell_angle_alpha 81.39251
_cell_angle_beta 77.02606
_cell_angle_gamma 67.32674
_cell_volume 279.18901
_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
Ca1 Ca 0.31449 0.26180 0.10923 1.00000
Ca2 Ca 0.50674 0.31748 0.66903 1.00000
Ca3 Ca 0.68551 0.73820 0.89077 1.00000
Ca4 Ca 0.49326 0.68252 0.33097 1.00000
In1 In 0.97384 0.16785 0.88447 1.00000
In2 In 0.14739 0.26696 0.43826 1.00000
In3 In 0.02616 0.83215 0.11553 1.00000
In4 In 0.85261 0.73304 0.56174 1.00000
Ag1 Ag 0.78288 0.09581 0.33843 1.00000
Ag2 Ag 0.21712 0.90419 0.66157 1.00000
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