CeIn(H3Pt)2
Alexandria ALEXAlex-ID: agm007715917 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_783_spg15
CeH6Pt InPt
2025-05-27 20:30:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007715917).
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 agm007715917
data_agm007715917
_cell_length_a 6.16452
_cell_length_b 6.59408
_cell_length_c 6.32339
_cell_angle_alpha 110.19081
_cell_angle_beta 97.61958
_cell_angle_gamma 103.69133
_cell_volume 227.82723
_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
Ce1 Ce 0.73595 0.16445 0.86445 1.00000
Ce2 Ce 0.26403 0.83553 0.13560 1.00000
In1 In 0.77958 0.62501 0.33323 1.00000
In2 In 0.22038 0.37506 0.66681 1.00000
H1 H 0.90293 0.54612 0.90515 1.00000
H2 H 0.62828 0.02421 0.43840 1.00000
H3 H 0.09714 0.45391 0.09482 1.00000
H4 H 0.37170 0.97577 0.56161 1.00000
H5 H 0.92167 0.86213 0.80327 1.00000
H6 H 0.48529 0.18251 0.12403 1.00000
H7 H 0.07833 0.13797 0.19678 1.00000
H8 H 0.51463 0.81730 0.87580 1.00000
H9 H 0.58820 0.43763 0.64471 1.00000
H10 H 0.82525 0.30229 0.29456 1.00000
H11 H 0.41186 0.56231 0.35535 1.00000
H12 H 0.17480 0.69777 0.70547 1.00000
Pt1 Pt 0.14004 0.94028 0.68000 1.00000
Pt2 Pt 0.31030 0.33651 0.10582 1.00000
Pt3 Pt 0.85990 0.05974 0.31996 1.00000
Pt4 Pt 0.68975 0.66348 0.89416 1.00000
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