La2Y5ErTm
Alexandria ALEXAlex-ID: agm005153184 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Er2Tm Y5Er LaY2 ErTm2
2023-01-26 03:00:23.066602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153184).
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 agm005153184
data_agm005153184
_cell_length_a 5.65273
_cell_length_b 10.44749
_cell_length_c 10.65704
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.69585
_cell_volume 605.90284
_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
La1 La 0.88531 0.77062 0.81818 1.00000
La2 La 0.11369 0.22738 0.73423 1.00000
La3 La 0.11469 0.22938 0.31818 1.00000
La4 La 0.88631 0.77262 0.23423 1.00000
Y1 Y 0.38162 0.76324 0.02103 1.00000
Y2 Y 0.72190 0.44379 0.81451 1.00000
Y3 Y 0.48135 0.96270 0.73990 1.00000
Y4 Y 0.29961 0.59922 0.70312 1.00000
Y5 Y 0.98448 0.96896 0.52023 1.00000
Y6 Y 0.61838 0.23676 0.52103 1.00000
Y7 Y 0.27810 0.55621 0.31451 1.00000
Y8 Y 0.51865 0.03730 0.23990 1.00000
Y9 Y 0.70039 0.40078 0.20312 1.00000
Y10 Y 0.01552 0.03104 0.02023 1.00000
Er1 Er 0.80307 0.60614 0.51318 1.00000
Er2 Er 0.19693 0.39386 0.01318 1.00000
Tm1 Tm 0.58940 0.17879 0.95960 1.00000
Tm2 Tm 0.41060 0.82121 0.45960 1.00000
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