Na5MnTe5
Alexandria ALEXAlex-ID: agm003673554 · 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
AB5C5_0_spg12
Na2Te MnTe2 NaTe3
2022-04-09 15:19:58.610436
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673554).
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 agm003673554
data_agm003673554
_cell_length_a 6.07020
_cell_length_b 7.83166
_cell_length_c 8.78088
_cell_angle_alpha 107.56343
_cell_angle_beta 90.00000
_cell_angle_gamma 112.80169
_cell_volume 363.61739
_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
Na1 Na 0.69612 0.39223 0.31561 1.00000
Na2 Na 0.67824 0.35647 0.85254 1.00000
Na3 Na 0.00000 0.00000 0.50000 1.00000
Na4 Na 0.32176 0.64353 0.14746 1.00000
Na5 Na 0.30388 0.60777 0.68439 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.86768 0.73536 0.15347 1.00000
Te2 Te 0.85397 0.70794 0.70289 1.00000
Te3 Te 0.50000 0.00000 0.00000 1.00000
Te4 Te 0.14603 0.29206 0.29711 1.00000
Te5 Te 0.13232 0.26464 0.84653 1.00000
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