Dy6Er2Tm3Zr
Alexandria ALEXAlex-ID: agm004655083 · 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_178_spg12
Dy7Er2 ErTm5 Dy5Tm TmZr5
2022-07-01 00:12:50.345574
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004655083).
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 agm004655083
data_agm004655083
_cell_length_a 6.03925
_cell_length_b 6.03925
_cell_length_c 11.54802
_cell_angle_alpha 94.96987
_cell_angle_beta 94.96987
_cell_angle_gamma 119.90872
_cell_volume 359.58605
_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
Dy1 Dy 0.91824 0.59081 0.75432 1.00000
Dy2 Dy 0.75466 0.75466 0.24504 1.00000
Dy3 Dy 0.08176 0.40919 0.24568 1.00000
Dy4 Dy 0.59081 0.91824 0.75432 1.00000
Dy5 Dy 0.24534 0.24534 0.75496 1.00000
Dy6 Dy 0.40919 0.08176 0.24568 1.00000
Er1 Er 0.33311 0.66689 0.00000 1.00000
Er2 Er 0.66689 0.33311 0.00000 1.00000
Tm1 Tm 0.16659 0.83341 0.50000 1.00000
Tm2 Tm 0.83341 0.16659 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
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