CaHo2(ErRh2)3
Alexandria ALEXAlex-ID: agm045306068 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_208_spg12
CaEr2Rh3 Ho2ErRh3
2024-11-01 15:42:02.220096
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045306068).
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 agm045306068
data_agm045306068
_cell_length_a 8.32093
_cell_length_b 8.32093
_cell_length_c 8.32093
_cell_angle_alpha 146.37290
_cell_angle_beta 131.72044
_cell_angle_gamma 60.12192
_cell_volume 235.94489
_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 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.16794 0.16794 0.00000 1.00000
Ho2 Ho 0.83206 0.83206 0.00000 1.00000
Er1 Er 0.33695 0.83695 0.50000 1.00000
Er2 Er 0.66305 0.16305 0.50000 1.00000
Er3 Er 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.07447 0.32984 0.74463 1.00000
Rh2 Rh 0.23925 0.00000 0.23925 1.00000
Rh3 Rh 0.92553 0.67016 0.25537 1.00000
Rh4 Rh 0.41478 0.67016 0.74463 1.00000
Rh5 Rh 0.76075 0.00000 0.76075 1.00000
Rh6 Rh 0.58522 0.32984 0.25537 1.00000
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