TmNi(H4Pt)2
Alexandria ALEXAlex-ID: agm007160874 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_323_spg148
Tm(NiH3)2 Tm(H3Pt)4 NiH TmPt3
2025-05-28 05:27:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007160874).
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 agm007160874
data_agm007160874
_cell_length_a 4.21452
_cell_length_b 4.78358
_cell_length_c 6.34127
_cell_angle_alpha 69.64707
_cell_angle_beta 75.83724
_cell_angle_gamma 58.23226
_cell_volume 101.60061
_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
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.23462 0.11421 0.47315 1.00000
H2 H 0.65843 0.24444 0.16341 1.00000
H3 H 0.76538 0.88579 0.52685 1.00000
H4 H 0.01111 0.69255 0.24353 1.00000
H5 H 0.98889 0.30745 0.75647 1.00000
H6 H 0.32222 0.93084 0.14421 1.00000
H7 H 0.67778 0.06916 0.85579 1.00000
H8 H 0.34157 0.75556 0.83659 1.00000
Pt1 Pt 0.17991 0.30458 0.20625 1.00000
Pt2 Pt 0.82009 0.69542 0.79375 1.00000
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