NaV5Te8
Alexandria ALEXAlex-ID: agm006116070 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_3_spg8
Na(VTe2)2 VTe V5Te8
2023-08-11 05:35:13.535274
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116070).
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 agm006116070
data_agm006116070
_cell_length_a 3.94559
_cell_length_b 9.37128
_cell_length_c 10.50024
_cell_angle_alpha 105.84682
_cell_angle_beta 100.82914
_cell_angle_gamma 90.00002
_cell_volume 366.30070
_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 0.47075 0.48465 0.94151 1.00000
V1 V 0.29493 0.66548 0.58987 1.00000
V2 V 0.71560 0.35047 0.43120 1.00000
V3 V 0.34320 0.01311 0.68639 1.00000
V4 V 0.64717 0.98352 0.29433 1.00000
V5 V 0.01250 0.99633 0.02501 1.00000
Te1 Te 0.23811 0.15370 0.47622 1.00000
Te2 Te 0.75748 0.84277 0.51496 1.00000
Te3 Te 0.16806 0.49547 0.33612 1.00000
Te4 Te 0.84213 0.51284 0.68426 1.00000
Te5 Te 0.08239 0.79310 0.16479 1.00000
Te6 Te 0.92167 0.18240 0.84334 1.00000
Te7 Te 0.42939 0.84261 0.85878 1.00000
Te8 Te 0.57662 0.18353 0.15323 1.00000
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