TmV2N3
Alexandria ALEXAlex-ID: agm033242001 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_124_spg63
VN TmN
2024-08-14 12:31:30.378349
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033242001).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm033242001
data_agm033242001
_cell_length_a 5.33669
_cell_length_b 5.33669
_cell_length_c 5.24339
_cell_angle_alpha 82.01297
_cell_angle_beta 82.01297
_cell_angle_gamma 118.20050
_cell_volume 126.69787
_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
Tm1 Tm 0.41445 0.58555 0.75000 1.00000
Tm2 Tm 0.58555 0.41445 0.25000 1.00000
V1 V 0.06262 0.93738 0.75000 1.00000
V2 V 0.77458 0.22542 0.75000 1.00000
V3 V 0.93738 0.06262 0.25000 1.00000
V4 V 0.22542 0.77458 0.25000 1.00000
N1 N 0.86552 0.68280 0.50311 1.00000
N2 N 0.68280 0.86552 0.00311 1.00000
N3 N 0.50000 0.00000 0.50000 1.00000
N4 N 0.13448 0.31720 0.49689 1.00000
N5 N 0.00000 0.50000 0.00000 1.00000
N6 N 0.31720 0.13448 0.99689 1.00000
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