Ac4Pr5Er2
Alexandria ALEXAlex-ID: agm005650072 · 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
A2B4C5_922_spg12
Pr2Er7 Ac Pr
2023-06-22 13:28:54.125350
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650072).
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 agm005650072
data_agm005650072
_cell_length_a 3.75396
_cell_length_b 10.26250
_cell_length_c 11.92769
_cell_angle_alpha 73.39593
_cell_angle_beta 99.05387
_cell_angle_gamma 90.00000
_cell_volume 434.37538
_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
Ac1 Ac 0.60860 0.59953 0.21720 1.00000
Ac2 Ac 0.04541 0.30784 0.09083 1.00000
Ac3 Ac 0.39140 0.40047 0.78280 1.00000
Ac4 Ac 0.95459 0.69216 0.90917 1.00000
Pr1 Pr 0.21224 0.15308 0.42449 1.00000
Pr2 Pr 0.78776 0.84692 0.57551 1.00000
Pr3 Pr 0.13562 0.92310 0.27125 1.00000
Pr4 Pr 0.50000 0.00000 0.00000 1.00000
Pr5 Pr 0.86438 0.07690 0.72875 1.00000
Er1 Er 0.76327 0.36759 0.52654 1.00000
Er2 Er 0.23673 0.63241 0.47346 1.00000
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