NdHo2(ErSe2)3
Alexandria ALEXAlex-ID: agm034360732 · 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
AB2C3D6_521_spg12
HoEr4Se5 Nd2Er3Se5 Ho4ErSe5
2025-03-09 06:51:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034360732).
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 agm034360732
data_agm034360732
_cell_length_a 9.10104
_cell_length_b 9.10104
_cell_length_c 8.20069
_cell_angle_alpha 77.34936
_cell_angle_beta 102.65064
_cell_angle_gamma 154.24818
_cell_volume 287.57419
_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
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.83894 0.16106 0.16614 1.00000
Ho2 Ho 0.16106 0.83894 0.83386 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.16396 0.83604 0.32972 1.00000
Er3 Er 0.83604 0.16396 0.67028 1.00000
Se1 Se 0.32686 0.67314 0.91135 1.00000
Se2 Se 0.66807 0.33193 0.58286 1.00000
Se3 Se 0.67314 0.32686 0.08865 1.00000
Se4 Se 0.99796 0.00204 0.73696 1.00000
Se5 Se 0.00204 0.99796 0.26304 1.00000
Se6 Se 0.33193 0.66807 0.41714 1.00000
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