Ce(H3Pt2)2
Alexandria ALEXAlex-ID: agm007337332 · 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
AB4C6_233_spg1
Ce(HPt)3 H3Pt
2024-05-29 07:56:46.065842
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007337332).
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 agm007337332
data_agm007337332
_cell_length_a 5.47153
_cell_length_b 5.21748
_cell_length_c 5.62967
_cell_angle_alpha 87.13301
_cell_angle_beta 118.06415
_cell_angle_gamma 119.80752
_cell_volume 119.45506
_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 0.15492 0.82567 0.87657 1.00000
H1 H 0.66493 0.27940 0.85856 1.00000
H2 H 0.02994 0.26823 0.73693 1.00000
H3 H 0.61598 0.88705 0.32140 1.00000
H4 H 0.63309 0.85527 0.82043 1.00000
H5 H 0.08484 0.22038 0.20704 1.00000
H6 H 0.87969 0.71324 0.33712 1.00000
Pt1 Pt 0.59175 0.06168 0.56334 1.00000
Pt2 Pt 0.48710 0.49501 0.28191 1.00000
Pt3 Pt 0.94670 0.44315 0.25001 1.00000
Pt4 Pt 0.41103 0.45091 0.74678 1.00000
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