Nd3Tm9Hf2
Alexandria ALEXAlex-ID: agm012670532 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_1595_spg2
Nd2Tm7 NdTm2 Hf
2024-05-30 07:46:13.175657
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012670532).
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 agm012670532
data_agm012670532
_cell_length_a 7.76453
_cell_length_b 6.95299
_cell_length_c 10.96009
_cell_angle_alpha 129.30019
_cell_angle_beta 115.07275
_cell_angle_gamma 76.87096
_cell_volume 414.01457
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.71008 0.14153 0.57299 1.00000
Nd3 Nd 0.28992 0.85847 0.42701 1.00000
Tm1 Tm 0.00000 0.50000 0.00000 1.00000
Tm2 Tm 0.84090 0.56734 0.27557 1.00000
Tm3 Tm 0.15910 0.43266 0.72443 1.00000
Tm4 Tm 0.43322 0.28457 0.13709 1.00000
Tm5 Tm 0.56678 0.71543 0.86291 1.00000
Tm6 Tm 0.71326 0.65324 0.57807 1.00000
Tm7 Tm 0.28674 0.34676 0.42193 1.00000
Tm8 Tm 0.15503 0.93247 0.71580 1.00000
Tm9 Tm 0.84497 0.06753 0.28420 1.00000
Hf1 Hf 0.43323 0.76371 0.13201 1.00000
Hf2 Hf 0.56677 0.23629 0.86799 1.00000
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