LaDyY5Ho2
Alexandria ALEXAlex-ID: agm005153333 · 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
Dy2Ho7 Dy5Ho Y5Ho LaY2
2023-01-19 16:57:57.461833
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153333).
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 agm005153333
data_agm005153333
_cell_length_a 5.64461
_cell_length_b 10.40115
_cell_length_c 10.52485
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.74435
_cell_volume 594.73608
_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 0.58323 0.16645 0.94615 1.00000
La2 La 0.41677 0.83355 0.44615 1.00000
Dy1 Dy 0.80314 0.60628 0.51410 1.00000
Dy2 Dy 0.19686 0.39372 0.01410 1.00000
Y1 Y 0.38274 0.76548 0.02352 1.00000
Y2 Y 0.72210 0.44420 0.82128 1.00000
Y3 Y 0.47868 0.95736 0.73533 1.00000
Y4 Y 0.29725 0.59449 0.70860 1.00000
Y5 Y 0.98360 0.96721 0.52323 1.00000
Y6 Y 0.61726 0.23452 0.52352 1.00000
Y7 Y 0.27790 0.55580 0.32128 1.00000
Y8 Y 0.52132 0.04264 0.23533 1.00000
Y9 Y 0.70275 0.40551 0.20860 1.00000
Y10 Y 0.01640 0.03279 0.02323 1.00000
Ho1 Ho 0.88770 0.77540 0.81810 1.00000
Ho2 Ho 0.11209 0.22417 0.73366 1.00000
Ho3 Ho 0.11230 0.22460 0.31810 1.00000
Ho4 Ho 0.88791 0.77583 0.23366 1.00000
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