CeEr(H3Pt)2
Alexandria ALEXAlex-ID: agm007709092 · 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_120_spg15
CeH3Pt CeH5Pt CeErPt6 ErH3
2025-01-04 08:05:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709092).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007709092
data_agm007709092
_cell_length_a 6.14213
_cell_length_b 6.14213
_cell_length_c 6.36049
_cell_angle_alpha 77.26105
_cell_angle_beta 102.73895
_cell_angle_gamma 78.21311
_cell_volume 220.07384
_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 0.15705 0.15705 0.75000 1.00000
Ce2 Ce 0.84295 0.84295 0.25000 1.00000
Er1 Er 0.58809 0.58809 0.75000 1.00000
Er2 Er 0.41191 0.41191 0.25000 1.00000
H1 H 0.56020 0.91519 0.87708 1.00000
H2 H 0.91519 0.56020 0.62292 1.00000
H3 H 0.43980 0.08481 0.12292 1.00000
H4 H 0.08481 0.43980 0.37708 1.00000
H5 H 0.83390 0.21070 0.96740 1.00000
H6 H 0.21070 0.83390 0.53260 1.00000
H7 H 0.16610 0.78930 0.03260 1.00000
H8 H 0.78930 0.16610 0.46740 1.00000
H9 H 0.45375 0.31485 0.61928 1.00000
H10 H 0.31485 0.45375 0.88072 1.00000
H11 H 0.54625 0.68515 0.38072 1.00000
H12 H 0.68515 0.54625 0.11928 1.00000
Pt1 Pt 0.94279 0.32504 0.17542 1.00000
Pt2 Pt 0.32504 0.94279 0.32458 1.00000
Pt3 Pt 0.05721 0.67496 0.82458 1.00000
Pt4 Pt 0.67496 0.05721 0.67542 1.00000
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