YbAl2B2O7
Alexandria ALEXAlex-ID: agm002199717 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_6_spg155
YbAl2B2O7
2018-07-16 19:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199717).
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 agm002199717
data_agm002199717
_cell_length_a 4.81842
_cell_length_b 4.81842
_cell_length_c 8.35808
_cell_angle_alpha 73.24531
_cell_angle_beta 73.24531
_cell_angle_gamma 60.00113
_cell_volume 158.47119
_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
B1 B 0.26821 0.26824 0.19529 1.00000
B2 B 0.73176 0.73179 0.80471 1.00000
Yb1 Yb 0.00000 1.00000 0.00000 1.00000
Al1 Al 0.42860 0.42860 0.71423 1.00000
Al2 Al 0.57140 0.57140 0.28577 1.00000
O1 O 0.46111 0.69705 0.81060 1.00000
O2 O 0.69702 0.03129 0.81063 1.00000
O3 O 0.03128 0.46112 0.81060 1.00000
O4 O 0.50007 0.49993 0.50000 1.00000
O5 O 0.53888 0.96872 0.18940 1.00000
O6 O 0.96871 0.30298 0.18937 1.00000
O7 O 0.30295 0.53889 0.18940 1.00000
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