Na3YPt8
Alexandria ALEXAlex-ID: agm005977842 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
Na3YPt8
2023-09-08 11:41:32.268276
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005977842).
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 agm005977842
data_agm005977842
_cell_length_a 5.38945
_cell_length_b 5.38946
_cell_length_c 9.30952
_cell_angle_alpha 73.17440
_cell_angle_beta 73.17441
_cell_angle_gamma 60.00000
_cell_volume 220.71074
_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 0.37449 0.37449 0.87652 1.00000
Na2 Na 0.00436 0.00436 0.98693 1.00000
Na3 Na 0.49452 0.49452 0.51643 1.00000
Y1 Y 0.87517 0.87517 0.37449 1.00000
Pt1 Pt 0.93497 0.43763 0.18977 1.00000
Pt2 Pt 0.44026 0.93786 0.68402 1.00000
Pt3 Pt 0.43763 0.43763 0.18977 1.00000
Pt4 Pt 0.93786 0.93786 0.68402 1.00000
Pt5 Pt 0.18744 0.18744 0.43767 1.00000
Pt6 Pt 0.68781 0.68781 0.93659 1.00000
Pt7 Pt 0.43763 0.93497 0.18977 1.00000
Pt8 Pt 0.93786 0.44026 0.68402 1.00000
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