Ac3LaH7
Alexandria ALEXAlex-ID: agm073030698 · 空间群: Fmm2 (#42)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_117_spg12
AcLa3H8 Ac3LaH8 Ac
2024-10-29 13:25:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073030698).
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 agm073030698
data_agm073030698
_cell_length_a 7.08851
_cell_length_b 7.09234
_cell_length_c 5.76789
_cell_angle_alpha 65.96515
_cell_angle_beta 66.03470
_cell_angle_gamma 48.00015
_cell_volume 192.95678
_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 0.36150 0.36150 0.13850 1.00000
Ac2 Ac 0.86150 0.86150 0.63850 1.00000
Ac3 Ac 0.61421 0.61421 0.38579 1.00000
La1 La 0.11119 0.11119 0.88881 1.00000
H1 H 0.47111 0.99269 0.00731 1.00000
H2 H 0.99269 0.47111 0.52889 1.00000
H3 H 0.99305 0.47405 0.00695 1.00000
H4 H 0.47405 0.99305 0.52595 1.00000
H5 H 0.74339 0.24183 0.25661 1.00000
H6 H 0.24183 0.74339 0.75817 1.00000
H7 H 0.87317 0.87317 0.12683 1.00000
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