Pm8Pr6N
Alexandria ALEXAlex-ID: agm072852011 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_394_spg2
Pm2Pr Pm6N5 Pr
2024-10-07 02:00:00.376485
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072852011).
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 agm072852011
data_agm072852011
_cell_length_a 6.43275
_cell_length_b 8.94115
_cell_length_c 9.33183
_cell_angle_alpha 83.28347
_cell_angle_beta 106.65278
_cell_angle_gamma 93.62392
_cell_volume 510.44269
_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 0.25863 0.19239 0.15329 1.00000
Pm2 Pm 0.74137 0.80761 0.84671 1.00000
Pm3 Pm 0.05267 0.12361 0.77232 1.00000
Pm4 Pm 0.86341 0.18729 0.38271 1.00000
Pm5 Pm 0.29952 0.82469 0.02669 1.00000
Pm6 Pm 0.94733 0.87639 0.22768 1.00000
Pm7 Pm 0.13659 0.81271 0.61729 1.00000
Pm8 Pm 0.70048 0.17531 0.97331 1.00000
Pr1 Pr 0.68830 0.51838 0.17768 1.00000
Pr2 Pr 0.22216 0.51258 0.38580 1.00000
Pr3 Pr 0.44586 0.15622 0.57260 1.00000
Pr4 Pr 0.31170 0.48162 0.82232 1.00000
Pr5 Pr 0.77784 0.48742 0.61420 1.00000
Pr6 Pr 0.55414 0.84378 0.42740 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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