PmNdY5Ho2
Alexandria ALEXAlex-ID: agm005146473 · 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
Pm(NdY3)2 PmHo8 Pm2NdY6 Y5Ho
2023-01-19 17:16:55.144923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146473).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005146473
data_agm005146473
_cell_length_a 5.65730
_cell_length_b 10.44415
_cell_length_c 10.54631
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.71401
_cell_volume 599.84667
_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 0.80226 0.60451 0.51425 1.00000
Pm2 Pm 0.19774 0.39549 0.01425 1.00000
Nd1 Nd 0.58418 0.16835 0.94674 1.00000
Nd2 Nd 0.41582 0.83165 0.44674 1.00000
Y1 Y 0.38723 0.77446 0.02432 1.00000
Y2 Y 0.72121 0.44242 0.81743 1.00000
Y3 Y 0.47761 0.95523 0.73561 1.00000
Y4 Y 0.29902 0.59804 0.70736 1.00000
Y5 Y 0.98346 0.96693 0.52375 1.00000
Y6 Y 0.61277 0.22554 0.52432 1.00000
Y7 Y 0.27879 0.55758 0.31743 1.00000
Y8 Y 0.52239 0.04477 0.23561 1.00000
Y9 Y 0.70098 0.40196 0.20736 1.00000
Y10 Y 0.01654 0.03307 0.02375 1.00000
Ho1 Ho 0.88716 0.77433 0.82033 1.00000
Ho2 Ho 0.11140 0.22280 0.73419 1.00000
Ho3 Ho 0.11284 0.22567 0.32033 1.00000
Ho4 Ho 0.88860 0.77720 0.23419 1.00000
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