Ce3Nd2TmAs6
Alexandria ALEXAlex-ID: agm032159385 · 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
AB2C3D6_201_spg12
Ce2NdAs3 CeNdAs2 TmAs
2025-01-20 11:29:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032159385).
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 agm032159385
data_agm032159385
_cell_length_a 9.41670
_cell_length_b 9.41670
_cell_length_c 8.42250
_cell_angle_alpha 76.99618
_cell_angle_beta 103.00382
_cell_angle_gamma 154.16496
_cell_volume 316.67547
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.16584 0.83416 0.33144 1.00000
Ce3 Ce 0.83416 0.16584 0.66856 1.00000
Nd1 Nd 0.83283 0.16717 0.16447 1.00000
Nd2 Nd 0.16717 0.83283 0.83553 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
As1 As 0.66314 0.33686 0.08605 1.00000
As2 As 0.66688 0.33312 0.57960 1.00000
As3 As 0.33686 0.66314 0.91395 1.00000
As4 As 0.99917 0.00083 0.75476 1.00000
As5 As 0.00083 0.99917 0.24524 1.00000
As6 As 0.33312 0.66688 0.42040 1.00000
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