Na4Tl2InPb2
Alexandria ALEXAlex-ID: agm004569476 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_226_spg2
NaTl2 NaIn2 NaTl NaPb
2022-06-19 17:15:14.366791
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569476).
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 agm004569476
data_agm004569476
_cell_length_a 6.15284
_cell_length_b 8.37775
_cell_length_c 7.94621
_cell_angle_alpha 118.39104
_cell_angle_beta 129.84112
_cell_angle_gamma 81.18688
_cell_volume 269.63471
_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 0.57722 0.77466 0.95992 1.00000
Na2 Na 0.79033 0.68722 0.45847 1.00000
Na3 Na 0.42278 0.22534 0.04008 1.00000
Na4 Na 0.20967 0.31278 0.54153 1.00000
Tl1 Tl 0.89000 0.40629 0.07334 1.00000
Tl2 Tl 0.11000 0.59371 0.92666 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.29663 0.88982 0.49734 1.00000
Pb2 Pb 0.70337 0.11018 0.50266 1.00000
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