AcTbPm2Y5
Alexandria ALEXAlex-ID: agm005154233 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Tb(PmY3)2 Tb5Pm3 Ac PmY2
2023-01-19 17:04:35.259259
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154233).
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 agm005154233
data_agm005154233
_cell_length_a 8.81690
_cell_length_b 8.81690
_cell_length_c 10.07755
_cell_angle_alpha 115.94146
_cell_angle_beta 115.94146
_cell_angle_gamma 90.00000
_cell_volume 615.49559
_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
Ac1 Ac 0.25000 0.75000 0.50000 1.00000
Ac2 Ac 0.75000 0.25000 0.50000 1.00000
Tb1 Tb 0.25000 0.25000 0.50000 1.00000
Tb2 Tb 0.75000 0.75000 0.50000 1.00000
Pm1 Pm 0.11520 0.38480 0.00000 1.00000
Pm2 Pm 0.61520 0.11520 1.00000 1.00000
Pm3 Pm 0.38480 0.88480 0.00000 1.00000
Pm4 Pm 0.88480 0.61520 0.00000 1.00000
Y1 Y 0.92169 0.42169 0.26620 1.00000
Y2 Y 0.65549 0.15549 0.73380 1.00000
Y3 Y 0.07831 0.57831 0.73380 1.00000
Y4 Y 0.15549 0.07831 0.73380 1.00000
Y5 Y 0.57831 0.65549 0.73380 1.00000
Y6 Y 0.84451 0.92169 0.26620 1.00000
Y7 Y 0.42169 0.34451 0.26620 1.00000
Y8 Y 0.34451 0.84451 0.26620 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
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