Na3Pm(SmS3)2
Alexandria ALEXAlex-ID: agm024471978 · 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_28_spg12
Na4Pm3SmS8 Na4PmSm3S8
2024-11-15 21:54:44.845301
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024471978).
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
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# CIF generated by HEAS from Alexandria entry agm024471978
data_agm024471978
_cell_length_a 9.15306
_cell_length_b 9.15306
_cell_length_c 8.18747
_cell_angle_alpha 76.90328
_cell_angle_beta 76.90328
_cell_angle_gamma 25.78840
_cell_volume 290.24058
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Na2 Na 0.16665 0.16665 0.16653 1.00000
Na3 Na 0.83335 0.83335 0.83347 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Sm1 Sm 0.16681 0.16681 0.66603 1.00000
Sm2 Sm 0.83319 0.83319 0.33397 1.00000
S1 S 0.66289 0.66289 0.90508 1.00000
S2 S 0.32900 0.32900 0.57296 1.00000
S3 S 0.33711 0.33711 0.09492 1.00000
S4 S 0.99552 0.99552 0.24089 1.00000
S5 S 0.00448 0.00448 0.75911 1.00000
S6 S 0.67100 0.67100 0.42704 1.00000
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