Ac2La3Pr2
Alexandria ALEXAlex-ID: agm010065655 · 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
A2B2C3_243_spg12
LaPr La2Pr Ac
2025-05-04 05:12:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010065655).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010065655
data_agm010065655
_cell_length_a 3.82444
_cell_length_b 6.55788
_cell_length_c 11.41224
_cell_angle_alpha 95.41678
_cell_angle_beta 90.00015
_cell_angle_gamma 106.83612
_cell_volume 272.61721
_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 0.71557 0.43045 0.85149 1.00000
Ac2 Ac 0.28443 0.56955 0.14851 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.85653 0.71592 0.43457 1.00000
La3 La 0.14347 0.28408 0.56543 1.00000
Pr1 Pr 0.43022 0.86293 0.71093 1.00000
Pr2 Pr 0.56978 0.13707 0.28907 1.00000
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