Pm(Y3Tm)2
Alexandria ALEXAlex-ID: agm005602604 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1975_spg15
Y5Tm PmY2 YTm2
2023-07-10 15:24:20.452202
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602604).
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 agm005602604
data_agm005602604
_cell_length_a 5.71028
_cell_length_b 11.84771
_cell_length_c 11.84771
_cell_angle_alpha 48.10368
_cell_angle_beta 103.91343
_cell_angle_gamma 103.91341
_cell_volume 575.57503
_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 0.25000 0.24996 0.75004 1.00000
Pm2 Pm 0.75000 0.75004 0.24996 1.00000
Y1 Y 0.80586 0.50270 0.66722 1.00000
Y2 Y 0.69414 0.33278 0.49730 1.00000
Y3 Y 0.19414 0.49730 0.33278 1.00000
Y4 Y 0.30586 0.66722 0.50270 1.00000
Y5 Y 0.91732 0.91745 0.41740 1.00000
Y6 Y 0.58268 0.58260 0.08255 1.00000
Y7 Y 0.08268 0.08255 0.58260 1.00000
Y8 Y 0.41732 0.41740 0.91745 1.00000
Y9 Y 0.13662 0.83284 0.99727 1.00000
Y10 Y 0.36338 0.00273 0.16716 1.00000
Y11 Y 0.86338 0.16716 0.00273 1.00000
Y12 Y 0.63662 0.99727 0.83284 1.00000
Tm1 Tm 0.03083 0.66762 0.83232 1.00000
Tm2 Tm 0.46917 0.16768 0.33238 1.00000
Tm3 Tm 0.96917 0.33238 0.16768 1.00000
Tm4 Tm 0.53083 0.83232 0.66762 1.00000
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