Ca2Ho3U2
Alexandria ALEXAlex-ID: agm012011901 · 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
A2B2C3_194_spg12
Ca Ho U
2024-06-24 11:41:33.914676
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012011901).
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 agm012011901
data_agm012011901
_cell_length_a 6.38872
_cell_length_b 6.38872
_cell_length_c 9.80549
_cell_angle_alpha 89.75721
_cell_angle_beta 89.75721
_cell_angle_gamma 33.05185
_cell_volume 218.27589
_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 0.73177 0.73177 0.82843 1.00000
Ca2 Ca 0.26823 0.26823 0.17157 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.46700 0.46700 0.68759 1.00000
Ho3 Ho 0.53300 0.53300 0.31241 1.00000
U1 U 0.81914 0.81914 0.47809 1.00000
U2 U 0.18086 0.18086 0.52191 1.00000
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