Er4Ga2O
Alexandria ALEXAlex-ID: agm096144792 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_6191_spg25
Er3Ga2 Er2O3 Er
2025-04-11 11:33:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096144792).
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 agm096144792
data_agm096144792
_cell_length_a 3.50212
_cell_length_b 5.16192
_cell_length_c 8.97582
_cell_angle_alpha 88.28579
_cell_angle_beta 90.00026
_cell_angle_gamma 89.98651
_cell_volume 162.18957
_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
Er1 Er 0.57141 0.73842 0.90116 1.00000
Er2 Er 0.57107 0.66326 0.32472 1.00000
Er3 Er 0.57210 0.14462 0.56045 1.00000
Er4 Er 0.07105 0.16421 0.15019 1.00000
Ga1 Ga 0.07189 0.25123 0.82899 1.00000
Ga2 Ga 0.07127 0.63210 0.60909 1.00000
O1 O 0.57122 0.90615 0.12539 1.00000
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