Er6ZnRh2
Alexandria ALEXAlex-ID: agm005805003 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1783_spg71
Er4ZnRh Er5Rh2 Er6Zn5Rh
2023-07-10 20:07:00.029029
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805003).
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 agm005805003
data_agm005805003
_cell_length_a 8.32340
_cell_length_b 8.32340
_cell_length_c 8.32340
_cell_angle_alpha 104.42747
_cell_angle_beta 111.56315
_cell_angle_gamma 112.53944
_cell_volume 441.31098
_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 0.54130 0.71958 0.82172 1.00000
Er2 Er 0.45870 0.28042 0.17828 1.00000
Er3 Er 0.10214 0.28042 0.82172 1.00000
Er4 Er 0.89786 0.71958 0.17828 1.00000
Er5 Er 0.80705 0.75909 0.56614 1.00000
Er6 Er 0.19295 0.24091 0.43386 1.00000
Er7 Er 0.19295 0.75909 0.95204 1.00000
Er8 Er 0.80705 0.24091 0.04796 1.00000
Er9 Er 0.69449 0.36535 0.67086 1.00000
Er10 Er 0.30551 0.63465 0.32914 1.00000
Er11 Er 0.30551 0.97637 0.67086 1.00000
Er12 Er 0.69449 0.02363 0.32914 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.36744 0.86744 1.00000
Rh2 Rh 0.50000 0.63256 0.13256 1.00000
Rh3 Rh 0.66962 0.00000 0.66962 1.00000
Rh4 Rh 0.33038 1.00000 0.33038 1.00000
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