Cs2Mn3Te4
Alexandria ALEXAlex-ID: agm005233243 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_0_spg72
CsMnTe2 Mn
2023-05-07 14:52:15.541831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233243).
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 agm005233243
data_agm005233243
_cell_length_a 10.70801
_cell_length_b 10.70801
_cell_length_c 10.70801
_cell_angle_alpha 143.81285
_cell_angle_beta 104.55146
_cell_angle_gamma 86.65534
_cell_volume 678.88659
_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 0.87686 0.76446 0.64132 1.00000
Cs2 Cs 0.62314 0.26446 0.88760 1.00000
Cs3 Cs 0.37686 0.73554 0.11240 1.00000
Cs4 Cs 0.12314 0.23554 0.35868 1.00000
Mn1 Mn 0.98652 0.75000 0.23652 1.00000
Mn2 Mn 0.51348 0.75000 0.76348 1.00000
Mn3 Mn 0.01348 0.25000 0.76348 1.00000
Mn4 Mn 0.75000 0.25000 0.50000 1.00000
Mn5 Mn 0.25000 0.75000 0.50000 1.00000
Mn6 Mn 0.48652 0.25000 0.23652 1.00000
Te1 Te 0.48116 0.62241 0.40235 1.00000
Te2 Te 0.01884 0.42119 0.14125 1.00000
Te3 Te 0.27994 0.87759 0.85875 1.00000
Te4 Te 0.22006 0.07881 0.59765 1.00000
Te5 Te 0.51884 0.37759 0.59765 1.00000
Te6 Te 0.98116 0.57881 0.85875 1.00000
Te7 Te 0.72006 0.12241 0.14125 1.00000
Te8 Te 0.77994 0.92119 0.40235 1.00000
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