Pm6Er2Cd
Alexandria ALEXAlex-ID: agm005680134 · 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
PmEr2 Pm2Cd Pm
2023-07-06 19:49:25.116597
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680134).
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 agm005680134
data_agm005680134
_cell_length_a 6.31451
_cell_length_b 11.37516
_cell_length_c 11.37515
_cell_angle_alpha 47.78618
_cell_angle_beta 106.14549
_cell_angle_gamma 106.14555
_cell_volume 576.48154
_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 0.71117 0.50520 0.65254 1.00000
Pm2 Pm 0.78883 0.34746 0.49480 1.00000
Pm3 Pm 0.28883 0.49480 0.34746 1.00000
Pm4 Pm 0.21117 0.65254 0.50520 1.00000
Pm5 Pm 0.91884 0.91935 0.41895 1.00000
Pm6 Pm 0.58116 0.58105 0.08065 1.00000
Pm7 Pm 0.08116 0.08065 0.58105 1.00000
Pm8 Pm 0.41884 0.41895 0.91935 1.00000
Pm9 Pm 0.05559 0.84663 0.99539 1.00000
Pm10 Pm 0.44441 0.00461 0.15337 1.00000
Pm11 Pm 0.94441 0.15337 0.00461 1.00000
Pm12 Pm 0.55559 0.99539 0.84663 1.00000
Er1 Er 0.57160 0.82760 0.67222 1.00000
Er2 Er 0.92840 0.32778 0.17240 1.00000
Er3 Er 0.42840 0.17240 0.32778 1.00000
Er4 Er 0.07160 0.67222 0.82760 1.00000
Cd1 Cd 0.25000 0.24922 0.75078 1.00000
Cd2 Cd 0.75000 0.75078 0.24922 1.00000
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