TbH7Pd2
Alexandria ALEXAlex-ID: agm006204643 · 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
AB2C7_1046_spg1
TbH4Pd3 H4Pd TbH3
2023-12-01 00:18:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204643).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006204643
data_agm006204643
_cell_length_a 6.81950
_cell_length_b 4.88499
_cell_length_c 4.91023
_cell_angle_alpha 123.33937
_cell_angle_beta 46.87813
_cell_angle_gamma 97.47446
_cell_volume 91.29754
_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
H1 H 0.99514 0.92062 0.45653 1.00000
H2 H 0.85136 0.89085 0.73710 1.00000
H3 H 0.48235 0.61010 0.84975 1.00000
H4 H 0.26357 0.79365 0.62154 1.00000
H5 H 0.58291 0.01782 0.57210 1.00000
H6 H 0.36413 0.20139 0.34388 1.00000
H7 H 0.92325 0.40574 0.59680 1.00000
Tb1 Tb 0.92325 0.40574 0.09680 1.00000
Pd1 Pd 0.26676 0.98658 0.03979 1.00000
Pd2 Pd 0.57969 0.82492 0.15388 1.00000
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