Er2HfSc4
Alexandria ALEXAlex-ID: agm005963900 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_847_spg8
Hf2Sc Er Sc
2023-10-19 20:42:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963900).
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
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# CIF generated by HEAS from Alexandria entry agm005963900
data_agm005963900
_cell_length_a 3.34789
_cell_length_b 3.34760
_cell_length_c 18.61874
_cell_angle_alpha 95.14550
_cell_angle_beta 89.99955
_cell_angle_gamma 120.00286
_cell_volume 179.73479
_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 0.61777 0.23555 0.09095 1.00000
Er2 Er 0.71684 0.43368 0.38540 1.00000
Hf1 Hf 0.81021 0.62040 0.66960 1.00000
Sc1 Sc 0.90144 0.80287 0.94323 1.00000
Sc2 Sc 0.43310 0.86620 0.53728 1.00000
Sc3 Sc 0.00100 0.00200 0.23846 1.00000
Sc4 Sc 0.52104 0.04209 0.80308 1.00000
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