Cs3(MgTe2)2
Alexandria ALEXAlex-ID: agm005658675 · 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
Cs2MgTe2 Cs2Te5 MgTe
2023-06-30 20:34:23.185316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658675).
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 agm005658675
data_agm005658675
_cell_length_a 4.44304
_cell_length_b 11.21769
_cell_length_c 10.63354
_cell_angle_alpha 120.42977
_cell_angle_beta 102.06280
_cell_angle_gamma 90.00144
_cell_volume 443.35050
_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 0.12126 0.57761 0.24148 1.00000
Cs2 Cs 0.87874 0.42239 0.75852 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.67607 0.95654 0.35286 1.00000
Mg2 Mg 0.32393 0.04346 0.64714 1.00000
Te1 Te 0.52603 0.74071 0.05204 1.00000
Te2 Te 0.21858 0.13896 0.43777 1.00000
Te3 Te 0.47397 0.25929 0.94796 1.00000
Te4 Te 0.78142 0.86104 0.56223 1.00000
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