Tb6PmSm2Mg
Alexandria ALEXAlex-ID: agm004980968 · 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
ABC2D6_695_spg15
Tb5Sm Tb2Sm Tb4Pm3Sm PmSmMg2
2023-01-13 22:01:07.133330
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004980968).
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 agm004980968
data_agm004980968
_cell_length_a 9.55484
_cell_length_b 8.69314
_cell_length_c 8.69314
_cell_angle_alpha 116.35415
_cell_angle_beta 94.07315
_cell_angle_gamma 94.07315
_cell_volume 641.12282
_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 0.05347 0.12250 0.75276 1.00000
Tb2 Tb 0.44653 0.24724 0.87750 1.00000
Tb3 Tb 0.94653 0.87750 0.24724 1.00000
Tb4 Tb 0.55347 0.75276 0.12250 1.00000
Tb5 Tb 0.31057 0.99254 0.43308 1.00000
Tb6 Tb 0.18943 0.56692 0.00746 1.00000
Tb7 Tb 0.68943 0.00746 0.56692 1.00000
Tb8 Tb 0.81057 0.43308 0.99254 1.00000
Tb9 Tb 0.11267 0.70253 0.49257 1.00000
Tb10 Tb 0.38733 0.50743 0.29747 1.00000
Tb11 Tb 0.88733 0.29747 0.50743 1.00000
Tb12 Tb 0.61267 0.49257 0.70253 1.00000
Pm1 Pm 0.25000 0.98072 0.01928 1.00000
Pm2 Pm 0.75000 0.01928 0.98072 1.00000
Sm1 Sm 0.44865 0.79625 0.69683 1.00000
Sm2 Sm 0.05135 0.30317 0.20375 1.00000
Sm3 Sm 0.55135 0.20375 0.30317 1.00000
Sm4 Sm 0.94865 0.69683 0.79625 1.00000
Mg1 Mg 0.25000 0.40565 0.59435 1.00000
Mg2 Mg 0.75000 0.59435 0.40565 1.00000
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