LaGa(H4Pt)2
Alexandria ALEXAlex-ID: agm007606504 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_327_spg155
LaH6Pt H2 GaPt
2025-04-28 18:37:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606504).
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 agm007606504
data_agm007606504
_cell_length_a 4.57194
_cell_length_b 4.88647
_cell_length_c 7.11467
_cell_angle_alpha 74.90634
_cell_angle_beta 116.91528
_cell_angle_gamma 118.80317
_cell_volume 124.01190
_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
La1 La 0.98511 0.48692 0.50935 1.00000
Ga1 Ga 0.84178 0.77643 0.98653 1.00000
H1 H 0.37820 0.17451 0.52863 1.00000
H2 H 0.49611 0.44903 0.82771 1.00000
H3 H 0.54452 0.78723 0.44365 1.00000
H4 H 0.91718 0.24961 0.86839 1.00000
H5 H 0.41614 0.49409 0.17857 1.00000
H6 H 0.02345 0.91439 0.70965 1.00000
H7 H 0.49857 0.20230 0.18368 1.00000
H8 H 0.93779 0.01625 0.28694 1.00000
Pt1 Pt 0.46926 0.08990 0.78317 1.00000
Pt2 Pt 0.49190 0.85934 0.19373 1.00000
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