La2H3Pt2
Alexandria ALEXAlex-ID: agm006299503 · 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_23_spg12
La3Pt5 LaH3 La15Pt32
2024-02-21 03:11:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006299503).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006299503
data_agm006299503
_cell_length_a 4.58476
_cell_length_b 3.97118
_cell_length_c 6.34549
_cell_angle_alpha 71.42261
_cell_angle_beta 85.81298
_cell_angle_gamma 89.88692
_cell_volume 109.19197
_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 0.23002 0.64449 0.70978 1.00000
La2 La 0.76998 0.35551 0.29022 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.26107 0.26869 0.46702 1.00000
H3 H 0.73893 0.73131 0.53298 1.00000
Pt1 Pt 0.28452 0.91149 0.17958 1.00000
Pt2 Pt 0.71548 0.08851 0.82042 1.00000
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