HoTa(H4Pt)2
Alexandria ALEXAlex-ID: agm007400749 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1162_spg12
HoH11 TaPt2 HoH3
2025-04-28 22:32:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007400749).
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 agm007400749
data_agm007400749
_cell_length_a 4.83971
_cell_length_b 5.18665
_cell_length_c 5.55178
_cell_angle_alpha 80.73860
_cell_angle_beta 64.14833
_cell_angle_gamma 62.22232
_cell_volume 110.80495
_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
Ho1 Ho 0.86579 0.11335 0.07135 1.00000
Ta1 Ta 0.97726 0.50423 0.45740 1.00000
H1 H 0.23810 0.71566 0.72368 1.00000
H2 H 0.04736 0.67713 0.14516 1.00000
H3 H 0.79246 0.48518 0.24592 1.00000
H4 H 0.31866 0.10423 0.17572 1.00000
H5 H 0.71379 0.69488 0.79294 1.00000
H6 H 0.39283 0.48607 0.24733 1.00000
H7 H 0.63321 0.35906 0.76364 1.00000
H8 H 0.16141 0.35890 0.76311 1.00000
Pt1 Pt 0.28120 0.89681 0.45732 1.00000
Pt2 Pt 0.57794 0.10450 0.65642 1.00000
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