LaMn(H3Pt)2
Alexandria ALEXAlex-ID: agm007707653 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_557_spg15
LaH6Pt MnPt
2024-02-08 11:12:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007707653).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007707653
data_agm007707653
_cell_length_a 6.90169
_cell_length_b 6.90169
_cell_length_c 6.25406
_cell_angle_alpha 76.44348
_cell_angle_beta 76.44348
_cell_angle_gamma 128.00664
_cell_volume 198.34378
_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 0.37555 0.62445 0.25000 1.00000
La2 La 0.62445 0.37555 0.75000 1.00000
Mn1 Mn 0.74690 0.25310 0.25000 1.00000
Mn2 Mn 0.25310 0.74690 0.75000 1.00000
H1 H 0.49804 0.07669 0.15942 1.00000
H2 H 0.92331 0.50196 0.34058 1.00000
H3 H 0.50196 0.92331 0.84058 1.00000
H4 H 0.07669 0.49804 0.65942 1.00000
H5 H 0.22622 0.22607 0.12582 1.00000
H6 H 0.77393 0.77378 0.37418 1.00000
H7 H 0.77378 0.77393 0.87418 1.00000
H8 H 0.22607 0.22622 0.62582 1.00000
H9 H 0.42080 0.08623 0.54101 1.00000
H10 H 0.91377 0.57920 0.95899 1.00000
H11 H 0.57920 0.91377 0.45899 1.00000
H12 H 0.08623 0.42080 0.04101 1.00000
Pt1 Pt 0.06419 0.24069 0.85973 1.00000
Pt2 Pt 0.75931 0.93581 0.64027 1.00000
Pt3 Pt 0.93581 0.75931 0.14027 1.00000
Pt4 Pt 0.24069 0.06419 0.35973 1.00000
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