Pm3(Y4Er)2
Alexandria ALEXAlex-ID: agm005604868 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_364_spg2
PmY2 YEr5 Y5Er
2023-06-16 18:21:34.814095
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604868).
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 agm005604868
data_agm005604868
_cell_length_a 11.31738
_cell_length_b 6.19622
_cell_length_c 6.20029
_cell_angle_alpha 99.53957
_cell_angle_beta 89.90098
_cell_angle_gamma 100.54412
_cell_volume 421.35881
_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
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 0.03835 0.38576 0.23155 1.00000
Pm3 Pm 0.96165 0.61424 0.76845 1.00000
Y1 Y 0.11620 0.15405 0.69256 1.00000
Y2 Y 0.88380 0.84595 0.30744 1.00000
Y3 Y 0.27116 0.69154 0.61612 1.00000
Y4 Y 0.72884 0.30846 0.38388 1.00000
Y5 Y 0.19381 0.92387 0.15571 1.00000
Y6 Y 0.34782 0.45988 0.07786 1.00000
Y7 Y 0.65218 0.54012 0.92214 1.00000
Y8 Y 0.80619 0.07613 0.84429 1.00000
Er1 Er 0.57563 0.76987 0.46202 1.00000
Er2 Er 0.42437 0.23013 0.53798 1.00000
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