PmHo8Tm5
Alexandria ALEXAlex-ID: agm006113683 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_5_spg82
PmHo8 HoTm5 Pm2Ho7
2023-08-11 05:45:46.564754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113683).
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 agm006113683
data_agm006113683
_cell_length_a 8.36507
_cell_length_b 8.36501
_cell_length_c 8.36506
_cell_angle_alpha 111.45525
_cell_angle_beta 105.57267
_cell_angle_gamma 111.45500
_cell_volume 449.03891
_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 0.25000 0.50000 0.75000 1.00000
Ho1 Ho 0.16297 0.73919 0.08100 1.00000
Ho2 Ho 0.91900 0.08198 0.65820 1.00000
Ho3 Ho 0.72309 0.25290 0.32894 1.00000
Ho4 Ho 0.67106 0.39415 0.92397 1.00000
Ho5 Ho 0.52981 0.60585 0.27691 1.00000
Ho6 Ho 0.57622 0.91802 0.83702 1.00000
Ho7 Ho 0.34181 0.26081 0.42378 1.00000
Ho8 Ho 0.07603 0.74710 0.47019 1.00000
Tm1 Tm 0.03995 0.32182 0.13532 1.00000
Tm2 Tm 0.86468 0.90463 0.18650 1.00000
Tm3 Tm 0.81350 0.67818 0.71813 1.00000
Tm4 Tm 0.50000 0.00000 0.50000 1.00000
Tm5 Tm 0.28188 0.09537 0.96005 1.00000
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