Pm2VRuN5
Alexandria ALEXAlex-ID: agm005151968 · 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_217_spg36
Pm3(VN3)2 PmN Ru RuN2
2023-01-17 00:55:05.426439
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005151968).
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 agm005151968
data_agm005151968
_cell_length_a 3.35365
_cell_length_b 7.04274
_cell_length_c 10.02117
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.77399
_cell_volume 229.88201
_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 0.86394 0.72789 0.81905 1.00000
Pm2 Pm 0.11853 0.23706 0.67491 1.00000
Pm3 Pm 0.13606 0.27211 0.31905 1.00000
Pm4 Pm 0.88147 0.76294 0.17491 1.00000
V1 V 0.55733 0.11466 0.94108 1.00000
V2 V 0.44267 0.88534 0.44108 1.00000
Ru1 Ru 0.79542 0.59084 0.53693 1.00000
Ru2 Ru 0.20458 0.40916 0.03693 1.00000
N1 N 0.34849 0.69697 0.00888 1.00000
N2 N 0.68391 0.36782 0.88338 1.00000
N3 N 0.49886 0.99773 0.78594 1.00000
N4 N 0.29700 0.59401 0.65074 1.00000
N5 N 0.96249 0.92498 0.52307 1.00000
N6 N 0.65151 0.30303 0.50888 1.00000
N7 N 0.31609 0.63218 0.38338 1.00000
N8 N 0.50114 0.00227 0.28594 1.00000
N9 N 0.70300 0.40599 0.15074 1.00000
N10 N 0.03751 0.07502 0.02307 1.00000
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