Dy2ErP3
Alexandria ALEXAlex-ID: agm031828811 · 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
AB2C3_367_spg8
DyErP2 Dy3ErP4
2024-12-06 02:28:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031828811).
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 agm031828811
data_agm031828811
_cell_length_a 8.92862
_cell_length_b 8.92862
_cell_length_c 7.98830
_cell_angle_alpha 77.07583
_cell_angle_beta 102.92417
_cell_angle_gamma 154.15049
_cell_volume 270.25387
_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 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.16659 0.83341 0.83297 1.00000
Dy3 Dy 0.83341 0.16659 0.16703 1.00000
Dy4 Dy 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.16686 0.83314 0.33347 1.00000
Er2 Er 0.83314 0.16686 0.66653 1.00000
P1 P 0.66676 0.33324 0.08488 1.00000
P2 P 0.33279 0.66721 0.41819 1.00000
P3 P 0.33324 0.66676 0.91512 1.00000
P4 P 0.99936 0.00064 0.74961 1.00000
P5 P 0.00064 0.99936 0.25039 1.00000
P6 P 0.66721 0.33279 0.58181 1.00000
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