SmEr(AsO4)2
Alexandria ALEXAlex-ID: agm062159079 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_291_spg119
ErAsO4 SmAsO4
2024-09-13 12:54:06.354271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062159079).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm062159079
data_agm062159079
_cell_length_a 6.01027
_cell_length_b 6.01027
_cell_length_c 6.01027
_cell_angle_alpha 106.39324
_cell_angle_beta 106.39324
_cell_angle_gamma 115.81989
_cell_volume 165.57673
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.75000 0.25000 0.50000 1.00000
As1 As 0.25000 0.75000 0.50000 1.00000
As2 As 0.50000 0.50000 0.00000 1.00000
O1 O 0.07105 0.39292 0.32187 1.00000
O2 O 0.14337 0.32674 0.81663 1.00000
O3 O 0.51012 0.32674 0.18337 1.00000
O4 O 0.07105 0.74918 0.67813 1.00000
O5 O 0.67326 0.85663 0.18337 1.00000
O6 O 0.60708 0.92895 0.67813 1.00000
O7 O 0.25082 0.92895 0.32187 1.00000
O8 O 0.67326 0.48988 0.81663 1.00000
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