Sm2Sc2Pb2N
Alexandria ALEXAlex-ID: agm023018024 · 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
AB2C2D2_1_spg139
Sm2Sc2Pb2N
2025-01-26 15:43:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023018024).
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 agm023018024
data_agm023018024
_cell_length_a 8.73681
_cell_length_b 8.73681
_cell_length_c 8.73681
_cell_angle_alpha 149.97952
_cell_angle_beta 149.97952
_cell_angle_gamma 42.97147
_cell_volume 166.49869
_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 0.16054 0.16054 0.00000 1.00000
Sm2 Sm 0.83946 0.83946 0.00000 1.00000
Sc1 Sc 0.50000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.50000 0.50000 1.00000
Pb1 Pb 0.36471 0.36471 0.00000 1.00000
Pb2 Pb 0.63529 0.63529 0.00000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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