Na2PtS9
Alexandria ALEXAlex-ID: agm101978804 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_964_spg1
NaS6 Na2S5 PtS2
2025-05-20 07:48:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101978804).
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 agm101978804
data_agm101978804
_cell_length_a 4.24969
_cell_length_b 10.18055
_cell_length_c 9.21509
_cell_angle_alpha 56.15462
_cell_angle_beta 101.52504
_cell_angle_gamma 83.48127
_cell_volume 311.82285
_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 0.84667 0.30995 0.14902 1.00000
Na2 Na 0.48697 0.79076 0.72650 1.00000
Pt1 Pt 0.89088 0.86537 0.15731 1.00000
S1 S 0.14242 0.06249 0.11524 1.00000
S2 S 0.18077 0.54038 0.94433 1.00000
S3 S 0.05097 0.43647 0.51996 1.00000
S4 S 0.39175 0.54327 0.16608 1.00000
S5 S 0.35463 0.78681 0.06804 1.00000
S6 S 0.60226 0.90171 0.32322 1.00000
S7 S 0.76993 0.46362 0.66426 1.00000
S8 S 0.77421 0.00764 0.44652 1.00000
S9 S 0.50855 0.29155 0.71954 1.00000
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