Mn2Te4I
Alexandria ALEXAlex-ID: agm096139635 · 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
AB2C4_6188_spg160
MnTe2 Te MnI2
2025-04-10 22:17:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096139635).
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 agm096139635
data_agm096139635
_cell_length_a 4.00762
_cell_length_b 5.48357
_cell_length_c 10.66810
_cell_angle_alpha 93.70415
_cell_angle_beta 95.19400
_cell_angle_gamma 93.57418
_cell_volume 232.44304
_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
Mn1 Mn 0.24073 0.04646 0.17925 1.00000
Mn2 Mn 0.80650 0.58166 0.43619 1.00000
Te1 Te 0.53004 0.39245 0.63346 1.00000
Te2 Te 0.78723 0.07160 0.36109 1.00000
Te3 Te 0.18018 0.82803 0.63336 1.00000
Te4 Te 0.26072 0.55719 0.25631 1.00000
I1 I 0.69459 0.02261 0.00033 1.00000
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