Na2In3As2
Alexandria ALEXAlex-ID: agm010124752 · 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
A2B2C3_1615_spg12
Na3InAs2 InAs In
2024-03-17 15:04:31.196559
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010124752).
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 agm010124752
data_agm010124752
_cell_length_a 5.89543
_cell_length_b 5.89543
_cell_length_c 7.94451
_cell_angle_alpha 73.56749
_cell_angle_beta 73.56749
_cell_angle_gamma 44.13215
_cell_volume 183.09094
_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 0.85089 0.85089 0.81537 1.00000
Na2 Na 0.14911 0.14911 0.18463 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
In2 In 0.61464 0.61464 0.55959 1.00000
In3 In 0.38536 0.38536 0.44041 1.00000
As1 As 0.83266 0.83266 0.24803 1.00000
As2 As 0.16734 0.16734 0.75197 1.00000
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