PmEr(CO4)2
Alexandria ALEXAlex-ID: agm004874827 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_328_spg12
Pm(CO3)2 ErO2
2022-12-19 08:50:11.874466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004874827).
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 agm004874827
data_agm004874827
_cell_length_a 5.27835
_cell_length_b 5.09691
_cell_length_c 6.49786
_cell_angle_alpha 60.58325
_cell_angle_beta 66.03613
_cell_angle_gamma 58.81530
_cell_volume 127.53897
_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 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
C1 C 0.28668 0.22998 0.19667 1.00000
C2 C 0.71332 0.77002 0.80333 1.00000
O1 O 0.88455 0.52114 0.70977 1.00000
O2 O 0.66728 0.61271 0.05272 1.00000
O3 O 0.11545 0.47886 0.29023 1.00000
O4 O 0.33272 0.38729 0.94728 1.00000
O5 O 0.56120 0.02876 0.27289 1.00000
O6 O 0.43880 0.97124 0.72711 1.00000
O7 O 0.13715 0.02876 0.27289 1.00000
O8 O 0.86285 0.97124 0.72711 1.00000
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