Y2Ho5ErTm
Alexandria ALEXAlex-ID: agm005154285 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Y5Ho HoTm2 Ho7Er2 Ho7Tm2
2023-01-19 14:49:22.605559
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154285).
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 agm005154285
data_agm005154285
_cell_length_a 5.56781
_cell_length_b 10.21521
_cell_length_c 10.54550
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.81461
_cell_volume 577.08651
_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
Y1 Y 0.88678 0.77356 0.81774 1.00000
Y2 Y 0.10979 0.21957 0.73644 1.00000
Y3 Y 0.11322 0.22644 0.31774 1.00000
Y4 Y 0.89021 0.78043 0.23644 1.00000
Ho1 Ho 0.38988 0.77975 0.02164 1.00000
Ho2 Ho 0.71753 0.43507 0.80798 1.00000
Ho3 Ho 0.48006 0.96012 0.73924 1.00000
Ho4 Ho 0.29978 0.59956 0.70750 1.00000
Ho5 Ho 0.98032 0.96063 0.52358 1.00000
Ho6 Ho 0.61012 0.22025 0.52164 1.00000
Ho7 Ho 0.28247 0.56493 0.30798 1.00000
Ho8 Ho 0.51994 0.03988 0.23924 1.00000
Ho9 Ho 0.70022 0.40044 0.20750 1.00000
Ho10 Ho 0.01968 0.03937 0.02358 1.00000
Er1 Er 0.58732 0.17464 0.95953 1.00000
Er2 Er 0.41268 0.82536 0.45953 1.00000
Tm1 Tm 0.79939 0.59879 0.51032 1.00000
Tm2 Tm 0.20061 0.40121 0.01032 1.00000
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