Pm4I5N2
Alexandria ALEXAlex-ID: agm005656597 · 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
A2B4C5_976_spg12
Pm4I5N Pm2I3N PmN
2023-06-22 08:08:47.738997
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656597).
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 agm005656597
data_agm005656597
_cell_length_a 3.91562
_cell_length_b 8.79138
_cell_length_c 15.37398
_cell_angle_alpha 135.67365
_cell_angle_beta 97.31624
_cell_angle_gamma 90.00000
_cell_volume 363.60274
_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 0.35923 0.17169 0.71846 1.00000
Pm2 Pm 0.01326 0.72351 0.02652 1.00000
Pm3 Pm 0.64077 0.82831 0.28154 1.00000
Pm4 Pm 0.98674 0.27649 0.97348 1.00000
I1 I 0.80245 0.28639 0.60490 1.00000
I2 I 0.19755 0.71361 0.39510 1.00000
I3 I 0.83414 0.81716 0.66829 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.16586 0.18284 0.33171 1.00000
N1 N 0.92963 0.35585 0.85926 1.00000
N2 N 0.07037 0.64415 0.14074 1.00000
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