Pr3HoCd
Alexandria ALEXAlex-ID: agm005772931 · 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_1382_spg12
Ho2Cd Pr PrCd
2023-07-03 06:23:29.172269
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772931).
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 agm005772931
data_agm005772931
_cell_length_a 3.77157
_cell_length_b 8.86284
_cell_length_c 10.09500
_cell_angle_alpha 76.64563
_cell_angle_beta 100.76630
_cell_angle_gamma 90.00000
_cell_volume 322.21116
_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
Pr1 Pr 0.99478 0.28731 0.98956 1.00000
Pr2 Pr 0.00522 0.71269 0.01044 1.00000
Pr3 Pr 0.40173 0.03351 0.80347 1.00000
Pr4 Pr 0.59827 0.96649 0.19653 1.00000
Pr5 Pr 0.18741 0.62413 0.37482 1.00000
Pr6 Pr 0.81259 0.37587 0.62518 1.00000
Ho1 Ho 0.79408 0.83399 0.58815 1.00000
Ho2 Ho 0.20592 0.16601 0.41185 1.00000
Cd1 Cd 0.60644 0.41387 0.21287 1.00000
Cd2 Cd 0.39356 0.58613 0.78713 1.00000
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