Hf2ZrIn2
Alexandria ALEXAlex-ID: agm045700968 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_4136_spg65
ZrIn Hf2In
2024-09-13 13:08:49.329512
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045700968).
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 agm045700968
data_agm045700968
_cell_length_a 11.35520
_cell_length_b 11.35520
_cell_length_c 11.35520
_cell_angle_alpha 163.99369
_cell_angle_beta 163.99369
_cell_angle_gamma 22.71119
_cell_volume 111.30365
_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
Hf1 Hf 0.79791 0.79791 0.00000 1.00000
Hf2 Hf 0.20209 0.20209 0.00000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
In1 In 0.59889 0.59889 0.00000 1.00000
In2 In 0.40111 0.40111 0.00000 1.00000
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