PmErTmSc
Alexandria ALEXAlex-ID: agm005179809 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1535_spg160
PmEr2 Sc PmTm2
2022-07-10 17:58:45.069880
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005179809).
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 agm005179809
data_agm005179809
_cell_length_a 3.50121
_cell_length_b 3.50185
_cell_length_c 11.40461
_cell_angle_alpha 89.99883
_cell_angle_beta 98.81646
_cell_angle_gamma 120.00238
_cell_volume 119.18101
_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
Pm1 Pm 0.97540 0.38577 0.37658 1.00000
Er1 Er 0.29713 0.54645 0.85939 1.00000
Tm1 Tm 0.13336 0.96472 0.11251 1.00000
Sc1 Sc 0.47202 0.13386 0.62118 1.00000
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