V3PtN
Alexandria ALEXAlex-ID: agm003109369 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1261_spg11
V2N VPt
2020-07-04 12:01:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003109369).
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 agm003109369
data_agm003109369
_cell_length_a 2.82623
_cell_length_b 8.22701
_cell_length_c 5.59973
_cell_angle_alpha 110.96044
_cell_angle_beta 89.98263
_cell_angle_gamma 90.01357
_cell_volume 121.58577
_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
N1 N 0.73168 0.50671 0.55530 1.00000
N2 N 0.23196 0.23324 0.15772 1.00000
Pt1 Pt 0.23193 0.00568 0.54943 1.00000
Pt2 Pt 0.73170 0.73430 0.16361 1.00000
V1 V 0.73181 0.24083 0.41063 1.00000
V2 V 0.23183 0.49909 0.30238 1.00000
V3 V 0.23144 0.50407 0.80208 1.00000
V4 V 0.73221 0.23593 0.91095 1.00000
V5 V 0.73178 0.76973 0.67043 1.00000
V6 V 0.23186 0.97026 0.04262 1.00000
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