Pm2Y5HoSc
Alexandria ALEXAlex-ID: agm005152816 · 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_252_spg36
Y5Ho PmY2 Sc PmHo8
2023-01-19 13:53:56.390508
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152816).
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 agm005152816
data_agm005152816
_cell_length_a 5.55362
_cell_length_b 10.51487
_cell_length_c 10.33295
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.31254
_cell_volume 581.97759
_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 0.88882 0.77765 0.81375 1.00000
Pm2 Pm 0.11646 0.23293 0.73441 1.00000
Pm3 Pm 0.11118 0.22235 0.31375 1.00000
Pm4 Pm 0.88354 0.76707 0.23441 1.00000
Y1 Y 0.36741 0.73482 0.02094 1.00000
Y2 Y 0.73043 0.46086 0.83245 1.00000
Y3 Y 0.48258 0.96516 0.73903 1.00000
Y4 Y 0.29922 0.59843 0.69953 1.00000
Y5 Y 0.98434 0.96869 0.51423 1.00000
Y6 Y 0.63259 0.26518 0.52094 1.00000
Y7 Y 0.26957 0.53914 0.33245 1.00000
Y8 Y 0.51742 0.03484 0.23903 1.00000
Y9 Y 0.70078 0.40157 0.19953 1.00000
Y10 Y 0.01566 0.03131 0.01423 1.00000
Ho1 Ho 0.59406 0.18812 0.95218 1.00000
Ho2 Ho 0.40594 0.81188 0.45218 1.00000
Sc1 Sc 0.80930 0.61861 0.51744 1.00000
Sc2 Sc 0.19070 0.38139 0.01744 1.00000
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