Ti3Mn2NbN6
Alexandria ALEXAlex-ID: agm041900397 · 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
AB2C3D6_1_spg12
Ti3MnN4 Mn2N Nb5N6 MnN
2024-08-08 02:28:30.944466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041900397).
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
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# CIF generated by HEAS from Alexandria entry agm041900397
data_agm041900397
_cell_length_a 5.26639
_cell_length_b 5.26639
_cell_length_c 5.27903
_cell_angle_alpha 80.51536
_cell_angle_beta 80.51536
_cell_angle_gamma 120.17514
_cell_volume 119.46336
_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
Ti1 Ti 0.82639 0.17361 0.50000 1.00000
Ti2 Ti 0.17361 0.82639 0.50000 1.00000
Ti3 Ti 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.66290 0.33710 0.00000 1.00000
Mn2 Mn 0.33710 0.66290 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.57948 0.91474 0.26050 1.00000
N2 N 0.75580 0.75580 0.73480 1.00000
N3 N 0.42052 0.08526 0.73950 1.00000
N4 N 0.91474 0.57948 0.26050 1.00000
N5 N 0.24420 0.24420 0.26520 1.00000
N6 N 0.08526 0.42052 0.73950 1.00000
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