Ac2Nd4Tm3
Alexandria ALEXAlex-ID: agm005641497 · 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_1067_spg12
NdTm2 Ac Nd
2023-06-27 16:26:57.682343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641497).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005641497
data_agm005641497
_cell_length_a 5.22114
_cell_length_b 6.41170
_cell_length_c 11.02702
_cell_angle_alpha 73.16814
_cell_angle_beta 89.99497
_cell_angle_gamma 65.97711
_cell_volume 319.78320
_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 0.33320 0.33359 0.77437 1.00000
Ac2 Ac 0.66680 0.66641 0.22563 1.00000
Nd1 Nd 0.66584 0.66831 0.88749 1.00000
Nd2 Nd 0.00187 0.99627 0.33774 1.00000
Nd3 Nd 0.99813 0.00373 0.66226 1.00000
Nd4 Nd 0.33416 0.33169 0.11251 1.00000
Tm1 Tm 0.33738 0.32525 0.44630 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.66262 0.67475 0.55370 1.00000
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