ErNi(BO2)5
Alexandria ALEXAlex-ID: agm022225035 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5D10_3_spg72
Er2Ni(B2O5)2 NiB4O7 Er(BO2)3
2024-11-03 10:41:01.747430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022225035).
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 agm022225035
data_agm022225035
_cell_length_a 8.27713
_cell_length_b 8.27713
_cell_length_c 8.27713
_cell_angle_alpha 136.08823
_cell_angle_beta 117.54926
_cell_angle_gamma 79.46013
_cell_volume 338.12580
_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 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
Ni1 Ni 0.50000 0.00000 0.50000 1.00000
Ni2 Ni 0.00000 0.50000 0.50000 1.00000
B1 B 0.79056 0.72714 0.31842 1.00000
B2 B 0.25000 0.25000 0.00000 1.00000
B3 B 0.75000 0.75000 0.00000 1.00000
B4 B 0.59128 0.52785 0.31842 1.00000
B5 B 0.20944 0.27286 0.68158 1.00000
B6 B 0.40872 0.47215 0.68158 1.00000
B7 B 0.29056 0.97215 0.06343 1.00000
B8 B 0.90872 0.22714 0.93657 1.00000
B9 B 0.70944 0.02785 0.93657 1.00000
B10 B 0.09128 0.77286 0.06343 1.00000
O1 O 0.72754 0.45494 0.40764 1.00000
O2 O 0.54730 0.95494 0.72740 1.00000
O3 O 0.22754 0.81990 0.27260 1.00000
O4 O 0.04730 0.31990 0.59236 1.00000
O5 O 0.95270 0.68010 0.40764 1.00000
O6 O 0.27246 0.54506 0.59236 1.00000
O7 O 0.45270 0.04506 0.27260 1.00000
O8 O 0.77246 0.18010 0.72740 1.00000
O9 O 0.77709 0.83838 0.24452 1.00000
O10 O 0.59387 0.53257 0.75548 1.00000
O11 O 0.27709 0.03257 0.93871 1.00000
O12 O 0.09387 0.33838 0.06129 1.00000
O13 O 0.87498 0.17370 0.04868 1.00000
O14 O 0.12502 0.82630 0.95132 1.00000
O15 O 0.37498 0.32630 0.70128 1.00000
O16 O 0.62502 0.67370 0.29872 1.00000
O17 O 0.72291 0.96743 0.06129 1.00000
O18 O 0.90613 0.66162 0.93871 1.00000
O19 O 0.22291 0.16162 0.75548 1.00000
O20 O 0.40613 0.46743 0.24452 1.00000
