Ca2Pr2Ho2Zn
Alexandria ALEXAlex-ID: agm017147178 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_117_spg119
Ho2Zn Ca Pr
2025-06-09 15:11:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017147178).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017147178
data_agm017147178
_cell_length_a 17.46820
_cell_length_b 17.46820
_cell_length_c 17.46820
_cell_angle_alpha 168.06523
_cell_angle_beta 168.06523
_cell_angle_gamma 16.90911
_cell_volume 227.93516
_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 0.70689 0.70689 0.00000 1.00000
Ca2 Ca 0.29311 0.29311 0.00000 1.00000
Pr1 Pr 0.87562 0.87562 1.00000 1.00000
Pr2 Pr 0.12438 0.12438 0.00000 1.00000
Ho1 Ho 0.55056 0.55056 0.00000 1.00000
Ho2 Ho 0.44944 0.44944 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
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