Ac3(LaPb2)2
Alexandria ALEXAlex-ID: agm005685193 · 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
A2B3C4_7_spg12
Ac5Pb4 Ac2La3Pb4
2023-06-27 08:18:12.317927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685193).
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 agm005685193
data_agm005685193
_cell_length_a 5.34510
_cell_length_b 7.35491
_cell_length_c 9.19624
_cell_angle_alpha 103.43419
_cell_angle_beta 106.89468
_cell_angle_gamma 90.00001
_cell_volume 335.57382
_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 0.12225 0.57333 0.24451 1.00000
Ac2 Ac 0.87775 0.42667 0.75549 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
La1 La 0.66181 0.07775 0.32361 1.00000
La2 La 0.33819 0.92225 0.67639 1.00000
Pb1 Pb 0.49643 0.70961 0.99286 1.00000
Pb2 Pb 0.24348 0.26805 0.48695 1.00000
Pb3 Pb 0.50357 0.29039 0.00714 1.00000
Pb4 Pb 0.75652 0.73195 0.51305 1.00000
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