Ca2Tb(NdRh)2
Alexandria ALEXAlex-ID: agm016573384 · 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
AB2C2D2_75_spg12
Ca5Rh Nd5Rh3 Tb5Rh3 Ca
2025-06-09 01:33:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016573384).
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 agm016573384
data_agm016573384
_cell_length_a 6.55005
_cell_length_b 6.55005
_cell_length_c 9.08057
_cell_angle_alpha 64.30940
_cell_angle_beta 115.69060
_cell_angle_gamma 145.03052
_cell_volume 198.89109
_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
Ca1 Ca 0.33051 0.66949 0.68945 1.00000
Ca2 Ca 0.66949 0.33051 0.31055 1.00000
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.11720 0.88280 0.93092 1.00000
Nd2 Nd 0.88280 0.11720 0.06908 1.00000
Rh1 Rh 0.66641 0.33359 0.73837 1.00000
Rh2 Rh 0.33359 0.66641 0.26163 1.00000
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