Ac2Mn2Te2S3
Alexandria ALEXAlex-ID: agm004487263 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C2D3_1_spg139
MnTe2 Ac2TeS2 MnS Mn
2022-06-17 05:00:28.477089
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004487263).
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 agm004487263
data_agm004487263
_cell_length_a 4.86034
_cell_length_b 4.86034
_cell_length_c 10.77173
_cell_angle_alpha 103.03853
_cell_angle_beta 103.03853
_cell_angle_gamma 90.00000
_cell_volume 241.15996
_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
Ac1 Ac 0.17220 0.17220 0.34440 1.00000
Ac2 Ac 0.82780 0.82780 0.65560 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
Mn2 Mn 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.59416 0.59416 0.18831 1.00000
Te2 Te 0.40584 0.40584 0.81169 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.25000 0.75000 0.50000 1.00000
S3 S 0.75000 0.25000 0.50000 1.00000
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