Pm2VTcN5
Alexandria ALEXAlex-ID: agm005164046 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_200_spg36
Pm3(VN3)2 PmTcN2 N2 VN
2023-01-17 01:15:26.027206
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164046).
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 agm005164046
data_agm005164046
_cell_length_a 3.37225
_cell_length_b 7.08389
_cell_length_c 9.90122
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.76988
_cell_volume 229.72910
_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
Pm1 Pm 0.86428 0.72857 0.81050 1.00000
Pm2 Pm 0.11797 0.23594 0.68232 1.00000
Pm3 Pm 0.13572 0.27143 0.31050 1.00000
Pm4 Pm 0.88203 0.76406 0.18232 1.00000
V1 V 0.55606 0.11211 0.94770 1.00000
V2 V 0.44394 0.88789 0.44770 1.00000
Tc1 Tc 0.78974 0.57949 0.52740 1.00000
Tc2 Tc 0.21026 0.42051 0.02740 1.00000
N1 N 0.34845 0.69689 0.00865 1.00000
N2 N 0.68237 0.36475 0.87989 1.00000
N3 N 0.49855 0.99710 0.78979 1.00000
N4 N 0.29655 0.59310 0.64654 1.00000
N5 N 0.95846 0.91693 0.53116 1.00000
N6 N 0.65155 0.30311 0.50865 1.00000
N7 N 0.31763 0.63525 0.37989 1.00000
N8 N 0.50145 0.00290 0.28979 1.00000
N9 N 0.70345 0.40690 0.14654 1.00000
N10 N 0.04154 0.08307 0.03116 1.00000
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