YbGdSi2O7
Alexandria ALEXAlex-ID: agm002302003 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_0_spg5
Yb2Si2O7 Gd2Si2O7
2023-03-26 13:56:49.070484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002302003).
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 agm002302003
data_agm002302003
_cell_length_a 4.80650
_cell_length_b 5.74927
_cell_length_c 5.74927
_cell_angle_alpha 105.58944
_cell_angle_beta 97.11815
_cell_angle_gamma 97.11815
_cell_volume 149.78173
_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
Gd1 Gd 0.50000 0.69816 0.30184 1.00000
Si1 Si 0.91051 0.21949 0.21317 1.00000
Si2 Si 0.08949 0.78683 0.78051 1.00000
Yb1 Yb 0.50000 0.31275 0.68725 1.00000
O1 O 0.72452 0.38333 0.07914 1.00000
O2 O 0.27548 0.92086 0.61667 1.00000
O3 O 0.72054 0.09367 0.38031 1.00000
O4 O 0.27946 0.61969 0.90633 1.00000
O5 O 1.00000 0.99612 0.00388 1.00000
O6 O 0.78877 0.62560 0.61708 1.00000
O7 O 0.21123 0.38292 0.37440 1.00000
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