NaSr2(GaAs2)2
Alexandria ALEXAlex-ID: agm004564342 · 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
AB2C2D4_207_spg12
Na2Ga2As3 Na3Sr3GaAs4 Sr3As4 Sr3(GaAs2)2
2022-06-19 17:00:03.261959
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564342).
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 agm004564342
data_agm004564342
_cell_length_a 4.48158
_cell_length_b 6.71147
_cell_length_c 8.22448
_cell_angle_alpha 110.48105
_cell_angle_beta 105.81033
_cell_angle_gamma 90.00000
_cell_volume 221.72133
_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 0.00000 0.00000 0.00000 1.00000
Sr1 Sr 0.13216 0.57488 0.26432 1.00000
Sr2 Sr 0.86784 0.42512 0.73568 1.00000
Ga1 Ga 0.66384 0.97970 0.32768 1.00000
Ga2 Ga 0.33616 0.02030 0.67232 1.00000
As1 As 0.20981 0.18996 0.41961 1.00000
As2 As 0.79019 0.81004 0.58039 1.00000
As3 As 0.50259 0.70801 0.00519 1.00000
As4 As 0.49741 0.29199 0.99481 1.00000
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