Cs2Cd3Pd2
Alexandria ALEXAlex-ID: agm010092079 · 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
A2B2C3_252_spg12
Cs2Cd CdPd
2024-03-07 11:58:48.884349
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010092079).
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 agm010092079
data_agm010092079
_cell_length_a 7.08000
_cell_length_b 7.08000
_cell_length_c 8.50234
_cell_angle_alpha 57.39404
_cell_angle_beta 57.39404
_cell_angle_gamma 39.40446
_cell_volume 221.84448
_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
Cs1 Cs 0.86188 0.86188 0.77105 1.00000
Cs2 Cs 0.13812 0.13812 0.22895 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.67159 0.67159 0.57521 1.00000
Cd3 Cd 0.32841 0.32841 0.42479 1.00000
Pd1 Pd 0.89149 0.89149 0.20024 1.00000
Pd2 Pd 0.10851 0.10851 0.79976 1.00000
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