PmEr3C5
Alexandria ALEXAlex-ID: agm072175164 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1176_spg191
Pm2C3 Er3C4 Pm2C
2024-09-25 19:21:10.709010
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072175164).
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 agm072175164
data_agm072175164
_cell_length_a 6.76824
_cell_length_b 6.76824
_cell_length_c 3.53618
_cell_angle_alpha 89.99396
_cell_angle_beta 89.99396
_cell_angle_gamma 64.15443
_cell_volume 145.78585
_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 0.96266 0.03734 0.50000 1.00000
Er1 Er 0.43270 0.00165 0.00005 1.00000
Er2 Er 0.99835 0.56730 0.99995 1.00000
Er3 Er 0.49312 0.50688 0.00000 1.00000
C1 C 0.18404 0.81596 0.00000 1.00000
C2 C 0.33302 0.34393 0.50017 1.00000
C3 C 0.65607 0.66698 0.49983 1.00000
C4 C 0.74716 0.80850 0.49994 1.00000
C5 C 0.19150 0.25284 0.50006 1.00000
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