Pm2VCrN5
Alexandria ALEXAlex-ID: agm005164115 · 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
Pm2CrN4 VN
2023-01-17 00:37:35.128864
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164115).
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 agm005164115
data_agm005164115
_cell_length_a 3.28665
_cell_length_b 7.05984
_cell_length_c 10.00603
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.46026
_cell_volume 225.79485
_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 0.86498 0.72996 0.81475 1.00000
Pm2 Pm 0.11772 0.23545 0.67723 1.00000
Pm3 Pm 0.13502 0.27004 0.31475 1.00000
Pm4 Pm 0.88228 0.76455 0.17723 1.00000
V1 V 0.56035 0.12071 0.94439 1.00000
V2 V 0.43965 0.87929 0.44439 1.00000
Cr1 Cr 0.78797 0.57594 0.53173 1.00000
Cr2 Cr 0.21203 0.42406 0.03173 1.00000
N1 N 0.34432 0.68865 0.00675 1.00000
N2 N 0.68461 0.36921 0.88206 1.00000
N3 N 0.49831 0.99663 0.79060 1.00000
N4 N 0.29341 0.58681 0.64607 1.00000
N5 N 0.95598 0.91195 0.53039 1.00000
N6 N 0.65568 0.31135 0.50675 1.00000
N7 N 0.31539 0.63079 0.38206 1.00000
N8 N 0.50169 0.00337 0.29060 1.00000
N9 N 0.70659 0.41319 0.14607 1.00000
N10 N 0.04402 0.08805 0.03039 1.00000
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