Li5ZnNi2(PtO5)2
Alexandria ALEXAlex-ID: agm010772004 · 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
AB2C2D5E10_2_spg1
Li3Ni2PtO6 Li2PtO3 ZnO
2025-01-21 03:32:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010772004).
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 agm010772004
data_agm010772004
_cell_length_a 5.25982
_cell_length_b 5.96391
_cell_length_c 6.71434
_cell_angle_alpha 101.42215
_cell_angle_beta 97.49850
_cell_angle_gamma 107.27074
_cell_volume 193.06931
_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
Li1 Li 0.20253 0.90022 0.40096 1.00000
Li2 Li 0.99642 0.49527 0.98900 1.00000
Li3 Li 0.81031 0.09651 0.59857 1.00000
Li4 Li 0.58926 0.70338 0.20236 1.00000
Li5 Li 0.40282 0.30401 0.81065 1.00000
Zn1 Zn 0.99905 0.99745 0.99906 1.00000
Ni1 Ni 0.20006 0.40052 0.40047 1.00000
Ni2 Ni 0.40045 0.80076 0.80060 1.00000
Pt1 Pt 0.59915 0.19914 0.19830 1.00000
Pt2 Pt 0.80086 0.60135 0.60115 1.00000
O1 O 0.50958 0.25999 0.49138 1.00000
O2 O 0.31479 0.86363 0.10103 1.00000
O3 O 0.09485 0.46256 0.69004 1.00000
O4 O 0.89367 0.06718 0.29594 1.00000
O5 O 0.70191 0.64991 0.88386 1.00000
O6 O 0.89059 0.54092 0.30798 1.00000
O7 O 0.68842 0.14631 0.91198 1.00000
O8 O 0.50490 0.73478 0.50917 1.00000
O9 O 0.30871 0.34277 0.11193 1.00000
O10 O 0.09169 0.93333 0.69558 1.00000
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