Er(Tm2H5)2
Alexandria ALEXAlex-ID: agm006516615 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_58_spg166
ErTm3H8 TmH2
2024-03-03 16:08:10.380408
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006516615).
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 agm006516615
data_agm006516615
_cell_length_a 14.73268
_cell_length_b 14.73268
_cell_length_c 14.73268
_cell_angle_alpha 14.02158
_cell_angle_beta 14.02158
_cell_angle_gamma 14.02158
_cell_volume 163.38025
_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 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.40019 0.40019 0.40019 1.00000
Tm2 Tm 0.80004 0.80004 0.80004 1.00000
Tm3 Tm 0.19996 0.19996 0.19996 1.00000
Tm4 Tm 0.59981 0.59981 0.59981 1.00000
H1 H 0.94944 0.94944 0.94944 1.00000
H2 H 0.14971 0.14971 0.14971 1.00000
H3 H 0.54960 0.54960 0.54960 1.00000
H4 H 0.35004 0.35004 0.35004 1.00000
H5 H 0.74982 0.74982 0.74982 1.00000
H6 H 0.64996 0.64996 0.64996 1.00000
H7 H 0.85029 0.85029 0.85029 1.00000
H8 H 0.25018 0.25018 0.25018 1.00000
H9 H 0.05056 0.05056 0.05056 1.00000
H10 H 0.45040 0.45040 0.45040 1.00000
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