K8ZnTe4
Alexandria ALEXAlex-ID: agm097807987 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_240_spg12
K2Te Zn
2025-06-16 07:38:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097807987).
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 agm097807987
data_agm097807987
_cell_length_a 5.71713
_cell_length_b 10.30237
_cell_length_c 11.49456
_cell_angle_alpha 118.80675
_cell_angle_beta 95.11268
_cell_angle_gamma 91.89676
_cell_volume 588.63937
_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 0.71778 0.29225 0.42692 1.00000
K2 K 0.78690 0.23501 0.87028 1.00000
K3 K 0.67072 0.61636 0.32502 1.00000
K4 K 0.47868 0.67481 0.82223 1.00000
K5 K 0.22965 0.26361 0.14083 1.00000
K6 K 0.23029 0.25595 0.62887 1.00000
K7 K 0.22752 0.85086 0.18658 1.00000
K8 K 0.19464 0.87129 0.62003 1.00000
Zn1 Zn 0.69807 0.05516 0.09492 1.00000
Te1 Te 0.00011 0.91037 0.91306 1.00000
Te2 Te 0.68781 0.00982 0.50862 1.00000
Te3 Te 0.33948 0.46979 0.98694 1.00000
Te4 Te 0.23835 0.49472 0.47570 1.00000
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