Na3Ga7Pt4
Alexandria ALEXAlex-ID: agm005694847 · 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
A3B4C7_31_spg12
Na2Ga4Pt3 NaGa2Pt Ga2Pt
2023-06-29 16:58:45.415878
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694847).
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 agm005694847
data_agm005694847
_cell_length_a 4.31017
_cell_length_b 8.19877
_cell_length_c 8.39330
_cell_angle_alpha 67.39804
_cell_angle_beta 75.12195
_cell_angle_gamma 74.76047
_cell_volume 260.12474
_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 0.30497 0.19236 0.19771 1.00000
Na2 Na 0.69503 0.80764 0.80229 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.31271 0.83574 0.53884 1.00000
Ga2 Ga 0.50353 0.20916 0.78377 1.00000
Ga3 Ga 0.84127 0.38693 0.93053 1.00000
Ga4 Ga 0.68729 0.16426 0.46116 1.00000
Ga5 Ga 0.15873 0.61307 0.06947 1.00000
Ga6 Ga 0.00000 0.00000 0.00000 1.00000
Ga7 Ga 0.49647 0.79084 0.21623 1.00000
Pt1 Pt 0.65863 0.47003 0.21271 1.00000
Pt2 Pt 0.34137 0.52997 0.78729 1.00000
Pt3 Pt 0.88039 0.90146 0.33776 1.00000
Pt4 Pt 0.11961 0.09854 0.66224 1.00000
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