AcPrI4
Alexandria ALEXAlex-ID: agm003740652 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1119_spg15
PrI2 Pr AcI3
2022-04-18 14:23:47.546745
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003740652).
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 agm003740652
data_agm003740652
_cell_length_a 7.80070
_cell_length_b 7.83382
_cell_length_c 10.51420
_cell_angle_alpha 103.58060
_cell_angle_beta 103.45332
_cell_angle_gamma 111.79329
_cell_volume 542.28349
_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 0.30834 0.55834 0.11668 1.00000
Ac2 Ac 0.69166 0.44166 0.88332 1.00000
Pr1 Pr 0.80167 0.05167 0.10333 1.00000
Pr2 Pr 0.19833 0.94833 0.89667 1.00000
I1 I 0.31313 0.06094 0.64489 1.00000
I2 I 0.07563 0.83501 0.15463 1.00000
I3 I 0.16824 0.41605 0.35511 1.00000
I4 I 0.42100 0.68038 0.84537 1.00000
I5 I 0.68687 0.93906 0.35511 1.00000
I6 I 0.83176 0.58395 0.64489 1.00000
I7 I 0.92437 0.16499 0.84537 1.00000
I8 I 0.57900 0.31962 0.15463 1.00000
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