Ho2Mg3Sc2
Alexandria ALEXAlex-ID: agm003305643 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_307_spg12
MgSc2 HoMg
2022-02-03 18:21:18.744464
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003305643).
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 agm003305643
data_agm003305643
_cell_length_a 3.38279
_cell_length_b 7.69748
_cell_length_c 8.28515
_cell_angle_alpha 118.38069
_cell_angle_beta 89.80037
_cell_angle_gamma 102.34036
_cell_volume 184.20969
_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
Ho1 Ho 0.63804 0.27533 0.82283 1.00000
Ho2 Ho 0.36196 0.72467 0.17717 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.68557 0.39577 0.27605 1.00000
Mg3 Mg 0.31443 0.60423 0.72395 1.00000
Sc1 Sc 0.93367 0.84620 0.56654 1.00000
Sc2 Sc 0.06633 0.15380 0.43346 1.00000
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