Er2Nb2O7
Alexandria ALEXAlex-ID: agm002232012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1_spg12
ErNbO4 NbO Er2O3
2018-12-29 04:43:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002232012).
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 agm002232012
data_agm002232012
_cell_length_a 5.63784
_cell_length_b 5.79273
_cell_length_c 5.79273
_cell_angle_alpha 111.85711
_cell_angle_beta 96.10883
_cell_angle_gamma 96.10883
_cell_volume 172.38570
_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
Nb1 Nb 0.60205 0.72892 0.72892 1.00000
Nb2 Nb 0.39795 0.27108 0.27108 1.00000
O1 O 0.78992 0.94039 0.59408 1.00000
O2 O 0.78992 0.59408 0.94039 1.00000
O3 O 0.24898 0.57938 0.57938 1.00000
O4 O 0.50000 0.00000 0.00000 1.00000
O5 O 0.75102 0.42062 0.42062 1.00000
O6 O 0.21008 0.40592 0.05961 1.00000
O7 O 0.21008 0.05961 0.40592 1.00000
Er1 Er 0.00000 0.31403 0.68597 1.00000
Er2 Er 0.00000 0.68597 0.31403 1.00000
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