Ca(Ho3Tm)2
Alexandria ALEXAlex-ID: agm005691353 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_645_spg15
HoTm2 Ho7Tm2 Ca
2023-07-06 14:27:09.128867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691353).
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 agm005691353
data_agm005691353
_cell_length_a 5.81842
_cell_length_b 10.29608
_cell_length_c 10.29608
_cell_angle_alpha 69.05338
_cell_angle_beta 83.70253
_cell_angle_gamma 83.70255
_cell_volume 570.91586
_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 0.25000 0.15008 0.84992 1.00000
Ca2 Ca 0.75000 0.84992 0.15008 1.00000
Ho1 Ho 0.44956 0.66494 0.46289 1.00000
Ho2 Ho 0.05044 0.53711 0.33506 1.00000
Ho3 Ho 0.55044 0.33506 0.53711 1.00000
Ho4 Ho 0.94956 0.46289 0.66494 1.00000
Ho5 Ho 0.62656 0.12961 0.33720 1.00000
Ho6 Ho 0.87344 0.66280 0.87039 1.00000
Ho7 Ho 0.37344 0.87039 0.66280 1.00000
Ho8 Ho 0.12656 0.33720 0.12961 1.00000
Ho9 Ho 0.29050 0.78111 0.99926 1.00000
Ho10 Ho 0.20950 0.00074 0.21889 1.00000
Ho11 Ho 0.70950 0.21889 0.00074 1.00000
Ho12 Ho 0.79050 0.99926 0.78111 1.00000
Tm1 Tm 0.41313 0.51559 0.82197 1.00000
Tm2 Tm 0.08687 0.17803 0.48441 1.00000
Tm3 Tm 0.58687 0.48441 0.17803 1.00000
Tm4 Tm 0.91313 0.82197 0.51559 1.00000
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