NbVTe
Alexandria ALEXAlex-ID: agm005692549 · 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
ABC_9315_spg12
NbV2 Nb3Te4 V
2023-06-18 14:16:33.257532
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692549).
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 agm005692549
data_agm005692549
_cell_length_a 3.19611
_cell_length_b 5.13257
_cell_length_c 14.66118
_cell_angle_alpha 43.90447
_cell_angle_beta 83.74237
_cell_angle_gamma 71.85904
_cell_volume 156.04414
_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
Nb1 Nb 0.76442 0.07518 0.39597 1.00000
Nb2 Nb 0.23558 0.92482 0.60403 1.00000
V1 V 0.48538 0.43803 0.59120 1.00000
V2 V 0.51462 0.56197 0.40880 1.00000
Te1 Te 0.77003 0.63285 0.82710 1.00000
Te2 Te 0.22997 0.36715 0.17290 1.00000
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