Nd2Mg(BO3)2
Alexandria ALEXAlex-ID: agm002200972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_0_spg12
NdB4 Nd2O3 MgO NdBO3
2018-11-18 20:20:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002200972).
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 agm002200972
data_agm002200972
_cell_length_a 5.06876
_cell_length_b 5.07783
_cell_length_c 6.40947
_cell_angle_alpha 116.06079
_cell_angle_beta 89.99951
_cell_angle_gamma 119.94173
_cell_volume 123.21733
_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
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
B1 B 0.95364 0.90728 0.70422 1.00000
B2 B 0.04636 0.09272 0.29578 1.00000
Nd1 Nd 0.70882 0.41765 0.20318 1.00000
Nd2 Nd 0.29118 0.58235 0.79682 1.00000
O1 O 0.76779 0.53559 0.62646 1.00000
O2 O 0.19738 0.90748 0.18990 1.00000
O3 O 0.28990 0.09251 0.81010 1.00000
O4 O 0.80262 0.09252 0.81010 1.00000
O5 O 0.71010 0.90749 0.18990 1.00000
O6 O 0.23221 0.46441 0.37354 1.00000
Get direct link