EuPClO2
Alexandria ALEXAlex-ID: agm002302701 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_130_spg11
Eu(PO3)3 Eu5P3ClO12 EuCl2 P
2019-01-09 06:33:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302701).
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 agm002302701
data_agm002302701
_cell_length_a 5.68593
_cell_length_b 5.82730
_cell_length_c 6.53206
_cell_angle_alpha 117.36880
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 192.20514
_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
Eu1 Eu 0.25000 0.63829 0.26863 1.00000
Eu2 Eu 0.75000 0.36171 0.73137 1.00000
P1 P 0.75000 0.93363 0.16701 1.00000
P2 P 0.25000 0.06637 0.83299 1.00000
O1 O 0.46784 0.23459 0.95035 1.00000
O2 O 0.03216 0.23459 0.95035 1.00000
O3 O 0.96784 0.76541 0.04965 1.00000
O4 O 0.53216 0.76541 0.04965 1.00000
Cl1 Cl 0.75000 0.72190 0.50523 1.00000
Cl2 Cl 0.25000 0.27810 0.49477 1.00000
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