Tm(H2Au)4
Alexandria ALEXAlex-ID: agm006541571 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_921_spg1
TmH3 H6Au TmAu4
2025-05-27 08:58:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006541571).
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 agm006541571
data_agm006541571
_cell_length_a 6.07550
_cell_length_b 6.06511
_cell_length_c 7.01976
_cell_angle_alpha 126.11470
_cell_angle_beta 125.18276
_cell_angle_gamma 76.44458
_cell_volume 168.60621
_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 0.08113 0.57265 0.49277 1.00000
H1 H 0.29779 0.31705 0.67913 1.00000
H2 H 0.61987 0.60479 0.25998 1.00000
H3 H 0.84139 0.29545 0.01332 1.00000
H4 H 0.79373 0.31584 0.43484 1.00000
H5 H 0.55674 0.57887 0.71548 1.00000
H6 H 0.03559 0.02331 0.68501 1.00000
H7 H 0.28390 0.75856 0.41426 1.00000
H8 H 0.26764 0.81145 0.96844 1.00000
Au1 Au 0.04784 0.04704 0.98428 1.00000
Au2 Au 0.02715 0.03142 0.41565 1.00000
Au3 Au 0.55280 0.55400 0.44748 1.00000
Au4 Au 0.59442 0.58959 0.98936 1.00000
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