Tb(PmPr2)2
Alexandria ALEXAlex-ID: agm005874656 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2838_spg1
Pm2Pr Tb4Pm3Pr Pr
2023-10-19 21:52:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874656).
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 agm005874656
data_agm005874656
_cell_length_a 8.82500
_cell_length_b 9.12827
_cell_length_c 7.22084
_cell_angle_alpha 101.39313
_cell_angle_beta 101.86113
_cell_angle_gamma 114.30819
_cell_volume 492.15616
_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
Tb1 Tb 0.68265 0.37726 0.15359 1.00000
Tb2 Tb 0.24771 0.24615 0.26116 1.00000
Pm1 Pm 0.41406 0.96563 0.73369 1.00000
Pm2 Pm 0.68280 0.37795 0.65365 1.00000
Pm3 Pm 0.83788 0.10936 0.37430 1.00000
Pm4 Pm 0.12178 0.53359 0.05358 1.00000
Pr1 Pr 0.83714 0.10972 0.87700 1.00000
Pr2 Pr 0.00478 0.82756 0.84715 1.00000
Pr3 Pr 0.56528 0.68832 0.45032 1.00000
Pr4 Pr 0.12255 0.53278 0.55007 1.00000
Pr5 Pr 0.41597 0.96658 0.23309 1.00000
Pr6 Pr 0.56417 0.68936 0.95285 1.00000
Pr7 Pr 0.24840 0.24632 0.76355 1.00000
Pr8 Pr 0.00484 0.82942 0.34599 1.00000
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