Ac2PmPr3N6
Alexandria ALEXAlex-ID: agm004622073 · 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
AB2C3D6_214_spg12
PmPr4N5 AcN PmN
2022-06-28 07:49:04.413564
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004622073).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004622073
data_agm004622073
_cell_length_a 3.74300
_cell_length_b 7.51370
_cell_length_c 8.44693
_cell_angle_alpha 102.80818
_cell_angle_beta 102.80064
_cell_angle_gamma 90.00000
_cell_volume 225.58963
_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
Ac1 Ac 0.83458 0.67228 0.66916 1.00000
Ac2 Ac 0.16542 0.32772 0.33084 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.84044 0.16731 0.68088 1.00000
Pr3 Pr 0.15956 0.83269 0.31912 1.00000
N1 N 0.34220 0.92706 0.68440 1.00000
N2 N 0.66013 0.59112 0.32026 1.00000
N3 N 0.65780 0.07294 0.31560 1.00000
N4 N 0.99789 0.24531 0.99578 1.00000
N5 N 0.00211 0.75469 0.00422 1.00000
N6 N 0.33987 0.40888 0.67974 1.00000
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