CeH7Pt4
Alexandria ALEXAlex-ID: agm007336094 · 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
AB4C7_111_spg12
Ce(HPt)3 Ce(H3Pt)4 H3Pt
2024-03-21 09:05:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007336094).
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 agm007336094
data_agm007336094
_cell_length_a 5.11262
_cell_length_b 5.11294
_cell_length_c 5.55536
_cell_angle_alpha 99.38496
_cell_angle_beta 99.39077
_cell_angle_gamma 119.44287
_cell_volume 119.66329
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.81430 0.81424 0.36444 1.00000
H2 H 0.18570 0.18576 0.63556 1.00000
H3 H 0.87623 0.55187 0.64135 1.00000
H4 H 0.12377 0.44813 0.35865 1.00000
H5 H 0.44808 0.12379 0.35862 1.00000
H6 H 0.50000 0.50000 0.00000 1.00000
H7 H 0.55192 0.87621 0.64138 1.00000
Pt1 Pt 0.43610 0.76296 0.26527 1.00000
Pt2 Pt 0.56390 0.23704 0.73473 1.00000
Pt3 Pt 0.76291 0.43602 0.26519 1.00000
Pt4 Pt 0.23709 0.56398 0.73481 1.00000
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