K3Cd7Pt4
Alexandria ALEXAlex-ID: agm005694748 · 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
A3B4C7_8_spg12
KCd3Pt2 KCd3Pt K
2023-06-29 16:28:08.362488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694748).
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 agm005694748
data_agm005694748
_cell_length_a 4.63261
_cell_length_b 8.98184
_cell_length_c 9.14756
_cell_angle_alpha 70.95224
_cell_angle_beta 75.33213
_cell_angle_gamma 75.05524
_cell_volume 341.60710
_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
K1 K 0.31253 0.18236 0.19258 1.00000
K2 K 0.68747 0.81764 0.80742 1.00000
K3 K 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.30929 0.85210 0.52932 1.00000
Cd2 Cd 0.49327 0.24077 0.77269 1.00000
Cd3 Cd 0.83636 0.40955 0.91773 1.00000
Cd4 Cd 0.69071 0.14790 0.47068 1.00000
Cd5 Cd 0.16364 0.59045 0.08227 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.50673 0.75923 0.22731 1.00000
Pt1 Pt 0.66688 0.44112 0.22512 1.00000
Pt2 Pt 0.33312 0.55888 0.77488 1.00000
Pt3 Pt 0.89220 0.89366 0.32193 1.00000
Pt4 Pt 0.10780 0.10634 0.67807 1.00000
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