Na4VS8
Alexandria ALEXAlex-ID: agm097510331 · 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
AB4C8_1403_spg2
VS4 Na3VS4 Na2S5
2025-06-16 22:25:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097510331).
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 agm097510331
data_agm097510331
_cell_length_a 4.20927
_cell_length_b 9.18999
_cell_length_c 10.02872
_cell_angle_alpha 115.47548
_cell_angle_beta 100.35091
_cell_angle_gamma 84.09034
_cell_volume 344.37923
_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 0.98771 0.87625 0.76796 1.00000
Na2 Na 0.02761 0.97481 0.44230 1.00000
Na3 Na 0.02145 0.53675 0.26553 1.00000
Na4 Na 0.96762 0.44571 0.56799 1.00000
V1 V 0.52702 0.09041 0.08371 1.00000
S1 S 0.40776 0.27654 0.31360 1.00000
S2 S 0.46506 0.11352 0.85641 1.00000
S3 S 0.53303 0.74130 0.42385 1.00000
S4 S 0.57784 0.81356 0.95350 1.00000
S5 S 0.49117 0.32637 0.05007 1.00000
S6 S 0.47709 0.21046 0.49149 1.00000
S7 S 0.54544 0.90735 0.18017 1.00000
S8 S 0.47121 0.68698 0.60342 1.00000
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