Ce2Tm(HfAs2)3
Alexandria ALEXAlex-ID: agm044486375 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_594_spg8
CeTm2HfAs4 CeHfAs2 HfAs
2024-12-02 20:42:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044486375).
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 agm044486375
data_agm044486375
_cell_length_a 6.88823
_cell_length_b 6.88823
_cell_length_c 6.92066
_cell_angle_alpha 80.43844
_cell_angle_beta 99.56156
_cell_angle_gamma 59.99252
_cell_volume 268.20087
_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
Ce1 Ce 0.33396 0.33396 0.00000 1.00000
Ce2 Ce 0.66604 0.66604 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.16788 0.16788 0.50000 1.00000
Hf2 Hf 0.83212 0.83212 0.50000 1.00000
Hf3 Hf 0.50000 0.50000 0.50000 1.00000
As1 As 0.41828 0.91073 0.26879 1.00000
As2 As 0.23813 0.76187 0.72899 1.00000
As3 As 0.58172 0.08927 0.73121 1.00000
As4 As 0.08927 0.58172 0.26879 1.00000
As5 As 0.76187 0.23813 0.27101 1.00000
As6 As 0.91073 0.41828 0.73121 1.00000
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