Tm2Co(BO3)2
Alexandria ALEXAlex-ID: agm002256751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
TmBO3 Co
2019-01-10 10:12:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002256751).
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 agm002256751
data_agm002256751
_cell_length_a 5.32719
_cell_length_b 6.44568
_cell_length_c 5.86288
_cell_angle_alpha 124.80851
_cell_angle_beta 74.51239
_cell_angle_gamma 125.64099
_cell_volume 133.68057
_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 0.96685 0.99657 0.68245 1.00000
B2 B 0.03315 0.00343 0.31755 1.00000
Tm1 Tm 0.56217 0.35748 0.15628 1.00000
Tm2 Tm 0.43783 0.64252 0.84372 1.00000
Co1 Co 0.50000 0.00000 0.50000 1.00000
O1 O 0.82885 0.68365 0.57221 1.00000
O2 O 0.24805 0.90872 0.16148 1.00000
O3 O 0.28269 0.21221 0.81183 1.00000
O4 O 0.75195 0.09128 0.83852 1.00000
O5 O 0.71731 0.78779 0.18817 1.00000
O6 O 0.17115 0.31635 0.42779 1.00000
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