Nd3HoCd
Alexandria ALEXAlex-ID: agm005772786 · 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
ABC3_4938_spg12
Ho2Cd Nd NdCd
2023-07-07 13:41:40.275215
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772786).
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 agm005772786
data_agm005772786
_cell_length_a 3.75075
_cell_length_b 6.83173
_cell_length_c 12.95438
_cell_angle_alpha 86.53703
_cell_angle_beta 89.99424
_cell_angle_gamma 74.08222
_cell_volume 318.58679
_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
Nd1 Nd 0.14591 0.70830 0.44432 1.00000
Nd2 Nd 0.36470 0.26956 0.02649 1.00000
Nd3 Nd 0.04056 0.91848 0.19036 1.00000
Nd4 Nd 0.85409 0.29170 0.55568 1.00000
Nd5 Nd 0.95944 0.08152 0.80964 1.00000
Nd6 Nd 0.63530 0.73044 0.97351 1.00000
Ho1 Ho 0.22693 0.54710 0.75116 1.00000
Ho2 Ho 0.77307 0.45290 0.24884 1.00000
Cd1 Cd 0.56281 0.87525 0.62977 1.00000
Cd2 Cd 0.43719 0.12475 0.37023 1.00000
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