Er(H2Pt)3
Alexandria ALEXAlex-ID: agm007334864 · 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
AB3C6_417_spg146
ErH3Pt ErHPt3 Er(H3Pt)4
2024-03-15 21:05:57.287275
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007334864).
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 agm007334864
data_agm007334864
_cell_length_a 5.39864
_cell_length_b 5.39864
_cell_length_c 7.26138
_cell_angle_alpha 43.24242
_cell_angle_beta 43.24242
_cell_angle_gamma 51.07367
_cell_volume 97.15528
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
H1 H 0.32044 0.32044 0.15013 1.00000
H2 H 0.65008 0.12836 0.43106 1.00000
H3 H 0.67956 0.67956 0.84987 1.00000
H4 H 0.34992 0.87164 0.56894 1.00000
H5 H 0.87164 0.34992 0.56894 1.00000
H6 H 0.12836 0.65008 0.43106 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Pt2 Pt 0.41325 0.41325 0.82601 1.00000
Pt3 Pt 0.58675 0.58675 0.17399 1.00000
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