Mg2Cd3Ag7
Alexandria ALEXAlex-ID: agm005603965 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_200_spg69
MgCd2Ag3 MgAg3 CdAg
2023-06-13 11:19:55.393286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603965).
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 agm005603965
data_agm005603965
_cell_length_a 5.03520
_cell_length_b 5.03499
_cell_length_c 9.99238
_cell_angle_alpha 108.31766
_cell_angle_beta 71.68740
_cell_angle_gamma 103.65454
_cell_volume 225.64719
_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
Mg1 Mg 0.33131 0.66848 0.33623 1.00000
Mg2 Mg 0.66869 0.33152 0.66377 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.83509 0.16478 0.33033 1.00000
Cd3 Cd 0.16491 0.83522 0.66967 1.00000
Ag1 Ag 0.25018 0.25006 0.49987 1.00000
Ag2 Ag 0.74982 0.74994 0.50013 1.00000
Ag3 Ag 0.91545 0.58301 0.16716 1.00000
Ag4 Ag 0.00000 0.00000 0.00000 1.00000
Ag5 Ag 0.08455 0.41699 0.83284 1.00000
Ag6 Ag 0.58301 0.91547 0.83288 1.00000
Ag7 Ag 0.41699 0.08453 0.16712 1.00000
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