PmPrY5Tm2
Alexandria ALEXAlex-ID: agm005146532 · 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(PrY3)2 Pm2PrY6 YTm2
2023-01-19 17:43:15.902333
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146532).
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
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# CIF generated by HEAS from Alexandria entry agm005146532
data_agm005146532
_cell_length_a 5.65172
_cell_length_b 10.44900
_cell_length_c 10.53319
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.69065
_cell_volume 598.85640
_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 0.58458 0.16916 0.94536 1.00000
Pm2 Pm 0.41542 0.83084 0.44536 1.00000
Pr1 Pr 0.80204 0.60408 0.51503 1.00000
Pr2 Pr 0.19796 0.39592 0.01503 1.00000
Y1 Y 0.38957 0.77914 0.02548 1.00000
Y2 Y 0.72110 0.44220 0.81587 1.00000
Y3 Y 0.47692 0.95385 0.73581 1.00000
Y4 Y 0.29957 0.59914 0.70684 1.00000
Y5 Y 0.98382 0.96765 0.52410 1.00000
Y6 Y 0.61043 0.22086 0.52548 1.00000
Y7 Y 0.27890 0.55780 0.31587 1.00000
Y8 Y 0.52308 0.04615 0.23581 1.00000
Y9 Y 0.70043 0.40086 0.20684 1.00000
Y10 Y 0.01618 0.03235 0.02410 1.00000
Tm1 Tm 0.88716 0.77431 0.82075 1.00000
Tm2 Tm 0.11094 0.22188 0.73473 1.00000
Tm3 Tm 0.11284 0.22569 0.32075 1.00000
Tm4 Tm 0.88906 0.77812 0.23473 1.00000
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