Pm5(Er6Th)2
Alexandria ALEXAlex-ID: agm005666575 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_311_spg2
Er2Th Pm PmEr2
2023-06-26 10:13:29.838725
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666575).
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 agm005666575
data_agm005666575
_cell_length_a 6.06167
_cell_length_b 9.66704
_cell_length_c 12.05130
_cell_angle_alpha 118.70130
_cell_angle_beta 96.08929
_cell_angle_gamma 90.99673
_cell_volume 614.03323
_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 0.50229 0.61937 0.66675 1.00000
Pm2 Pm 0.10436 0.69641 0.15450 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Pm4 Pm 0.89564 0.30359 0.84550 1.00000
Pm5 Pm 0.49771 0.38063 0.33325 1.00000
Er1 Er 0.82301 0.03905 0.22206 1.00000
Er2 Er 0.04077 0.65796 0.83910 1.00000
Er3 Er 0.57160 0.67141 0.98303 1.00000
Er4 Er 0.06356 0.64858 0.46511 1.00000
Er5 Er 0.61961 0.69502 0.28563 1.00000
Er6 Er 0.57604 0.92224 0.60401 1.00000
Er7 Er 0.42396 0.07776 0.39599 1.00000
Er8 Er 0.93644 0.35142 0.53489 1.00000
Er9 Er 0.38039 0.30498 0.71437 1.00000
Er10 Er 0.95923 0.34204 0.16090 1.00000
Er11 Er 0.42840 0.32859 0.01697 1.00000
Er12 Er 0.17699 0.96095 0.77794 1.00000
Th1 Th 0.72421 0.98627 0.92177 1.00000
Th2 Th 0.27579 0.01373 0.07823 1.00000
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