Y3Ga8Pt3
Alexandria ALEXAlex-ID: agm005685634 · 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
A3B3C8_0_spg71
YGa2Pt Y4Ga12Pt Y4(Ga8Pt3)3
2023-06-29 09:47:53.699160
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685634).
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 agm005685634
data_agm005685634
_cell_length_a 4.33786
_cell_length_b 8.14038
_cell_length_c 8.24584
_cell_angle_alpha 69.97401
_cell_angle_beta 74.74987
_cell_angle_gamma 74.54739
_cell_volume 258.89339
_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
Y1 Y 0.29280 0.70511 0.70930 1.00000
Y2 Y 0.70720 0.29489 0.29070 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.14244 0.14517 0.56995 1.00000
Ga2 Ga 0.85756 0.85483 0.43005 1.00000
Ga3 Ga 0.84945 0.43389 0.86721 1.00000
Ga4 Ga 0.15055 0.56611 0.13279 1.00000
Ga5 Ga 0.50019 0.67518 0.32443 1.00000
Ga6 Ga 0.49981 0.32482 0.67557 1.00000
Ga7 Ga 0.34420 0.02675 0.28485 1.00000
Ga8 Ga 0.65580 0.97325 0.71515 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.64653 0.71357 0.99338 1.00000
Pt3 Pt 0.35347 0.28643 0.00662 1.00000
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