Sm7In(PbN)2
Alexandria ALEXAlex-ID: agm034403246 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_201_spg12
Sm5Pb3N Sm3PbN Sm3InN
2024-12-03 13:09:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034403246).
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 agm034403246
data_agm034403246
_cell_length_a 13.57178
_cell_length_b 13.57178
_cell_length_c 13.57178
_cell_angle_alpha 159.12790
_cell_angle_beta 159.12790
_cell_angle_gamma 29.68558
_cell_volume 317.13998
_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
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.69178 0.69178 0.00000 1.00000
Sm3 Sm 0.30822 0.30822 0.00000 1.00000
Sm4 Sm 0.59301 0.09301 0.50000 1.00000
Sm5 Sm 0.09301 0.59301 0.50000 1.00000
Sm6 Sm 0.90699 0.40699 0.50000 1.00000
Sm7 Sm 0.40699 0.90699 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.18221 0.18221 0.00000 1.00000
Pb2 Pb 0.81779 0.81779 0.00000 1.00000
N1 N 0.40239 0.40239 0.00000 1.00000
N2 N 0.59761 0.59761 0.00000 1.00000
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