TbPrY5Tm2
Alexandria ALEXAlex-ID: agm005146545 · 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
TbPrY4 YTm2
2023-01-19 17:54:59.918542
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146545).
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 agm005146545
data_agm005146545
_cell_length_a 5.63576
_cell_length_b 10.48369
_cell_length_c 10.47525
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.59210
_cell_volume 596.13907
_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 0.58685 0.17370 0.94682 1.00000
Tb2 Tb 0.41315 0.82630 0.44682 1.00000
Pr1 Pr 0.80309 0.60618 0.51543 1.00000
Pr2 Pr 0.19691 0.39382 0.01543 1.00000
Y1 Y 0.39056 0.78111 0.02603 1.00000
Y2 Y 0.72217 0.44434 0.81529 1.00000
Y3 Y 0.47736 0.95471 0.73697 1.00000
Y4 Y 0.30108 0.60215 0.70553 1.00000
Y5 Y 0.98403 0.96805 0.52294 1.00000
Y6 Y 0.60944 0.21889 0.52603 1.00000
Y7 Y 0.27783 0.55566 0.31529 1.00000
Y8 Y 0.52264 0.04529 0.23697 1.00000
Y9 Y 0.69892 0.39785 0.20553 1.00000
Y10 Y 0.01597 0.03195 0.02294 1.00000
Tm1 Tm 0.88739 0.77478 0.82027 1.00000
Tm2 Tm 0.11106 0.22212 0.73468 1.00000
Tm3 Tm 0.11261 0.22522 0.32027 1.00000
Tm4 Tm 0.88894 0.77788 0.23468 1.00000
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