ScCd2(SnPd)2
Alexandria ALEXAlex-ID: agm023664366 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_16_spg166
Cd9Pd2 CdSn5Pd3 ScSnPd
2024-10-02 04:07:55.859092
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023664366).
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 agm023664366
data_agm023664366
_cell_length_a 8.09118
_cell_length_b 8.09118
_cell_length_c 8.09118
_cell_angle_alpha 33.61711
_cell_angle_beta 33.61711
_cell_angle_gamma 33.61711
_cell_volume 144.63632
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.13572 0.13572 0.13572 1.00000
Cd2 Cd 0.86428 0.86428 0.86428 1.00000
Sn1 Sn 0.60930 0.60930 0.60930 1.00000
Sn2 Sn 0.39070 0.39070 0.39070 1.00000
Pd1 Pd 0.73932 0.73932 0.73932 1.00000
Pd2 Pd 0.26068 0.26068 0.26068 1.00000
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