Ce3PmTc
Alexandria ALEXAlex-ID: agm005835339 · 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
ABC3_4040_spg12
Ce2Tc CePm2Tc Ce
2023-07-06 04:36:03.412395
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005835339).
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 agm005835339
data_agm005835339
_cell_length_a 3.41842
_cell_length_b 6.30188
_cell_length_c 11.98713
_cell_angle_alpha 91.86492
_cell_angle_beta 88.21617
_cell_angle_gamma 72.67076
_cell_volume 246.15425
_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
Ce1 Ce 0.12465 0.72079 0.46336 1.00000
Ce2 Ce 0.43387 0.28187 0.00455 1.00000
Ce3 Ce 0.01020 0.92400 0.17872 1.00000
Ce4 Ce 0.87535 0.27921 0.53664 1.00000
Ce5 Ce 0.98980 0.07600 0.82128 1.00000
Ce6 Ce 0.56613 0.71813 0.99545 1.00000
Pm1 Pm 0.20751 0.54256 0.73766 1.00000
Pm2 Pm 0.79249 0.45744 0.26234 1.00000
Tc1 Tc 0.54818 0.93028 0.62658 1.00000
Tc2 Tc 0.45182 0.06972 0.37342 1.00000
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