K3(MgTe2)2
Alexandria ALEXAlex-ID: agm005658690 · 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
A2B3C4_1140_spg12
K2Mg2Te3 K2MgTe2 K2Te3
2023-06-30 20:26:14.408177
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658690).
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 agm005658690
data_agm005658690
_cell_length_a 4.26313
_cell_length_b 10.28449
_cell_length_c 9.95692
_cell_angle_alpha 119.25240
_cell_angle_beta 102.37441
_cell_angle_gamma 89.98115
_cell_volume 369.23055
_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 0.11658 0.57712 0.23279 1.00000
K2 K 0.88342 0.42288 0.76721 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.67426 0.95913 0.34759 1.00000
Mg2 Mg 0.32574 0.04087 0.65241 1.00000
Te1 Te 0.51530 0.73602 0.03082 1.00000
Te2 Te 0.22246 0.16532 0.44480 1.00000
Te3 Te 0.48470 0.26398 0.96918 1.00000
Te4 Te 0.77754 0.83468 0.55520 1.00000
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