ErTm(H3Pt)2
Alexandria ALEXAlex-ID: agm007804552 · 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
ErH3Pt TmH3Pt
2024-03-05 14:57:00.354765
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007804552).
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 agm007804552
data_agm007804552
_cell_length_a 6.03932
_cell_length_b 6.03932
_cell_length_c 6.66382
_cell_angle_alpha 74.63110
_cell_angle_beta 74.63110
_cell_angle_gamma 102.72924
_cell_volume 214.65872
_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 0.42807 0.57193 0.75000 1.00000
Er2 Er 0.57193 0.42807 0.25000 1.00000
Tm1 Tm 0.85832 0.14168 0.75000 1.00000
Tm2 Tm 0.14168 0.85832 0.25000 1.00000
H1 H 0.07635 0.85207 0.92468 1.00000
H2 H 0.14793 0.92365 0.57532 1.00000
H3 H 0.92365 0.14793 0.07532 1.00000
H4 H 0.85207 0.07635 0.42468 1.00000
H5 H 0.47382 0.14296 0.86583 1.00000
H6 H 0.85704 0.52618 0.63417 1.00000
H7 H 0.52618 0.85704 0.13417 1.00000
H8 H 0.14296 0.47382 0.36583 1.00000
H9 H 0.26617 0.32116 0.60374 1.00000
H10 H 0.67884 0.73383 0.89626 1.00000
H11 H 0.73383 0.67884 0.39626 1.00000
H12 H 0.32116 0.26617 0.10374 1.00000
Pt1 Pt 0.05323 0.35948 0.18903 1.00000
Pt2 Pt 0.64052 0.94677 0.31097 1.00000
Pt3 Pt 0.94677 0.64052 0.81097 1.00000
Pt4 Pt 0.35948 0.05323 0.68903 1.00000
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