NdHo3(BO3)4
Alexandria ALEXAlex-ID: agm011682113 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_60_spg2
HoBO3 NdBO3
2024-04-06 16:15:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011682113).
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 agm011682113
data_agm011682113
_cell_length_a 5.02826
_cell_length_b 6.34207
_cell_length_c 8.10306
_cell_angle_alpha 106.94831
_cell_angle_beta 90.05800
_cell_angle_gamma 90.00284
_cell_volume 247.18017
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.00000 0.00000 0.50000 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
B1 B 0.50099 0.00142 0.74416 1.00000
B2 B 0.99910 0.50495 0.25276 1.00000
B3 B 0.49901 0.99858 0.25584 1.00000
B4 B 0.00090 0.49505 0.74724 1.00000
O1 O 0.77615 0.99990 0.73960 1.00000
O2 O 0.27600 0.49758 0.25040 1.00000
O3 O 0.86289 0.64048 0.39303 1.00000
O4 O 0.37258 0.14405 0.88422 1.00000
O5 O 0.35591 0.85898 0.61200 1.00000
O6 O 0.85680 0.37409 0.11341 1.00000
O7 O 0.22385 0.00010 0.26040 1.00000
O8 O 0.72400 0.50242 0.74960 1.00000
O9 O 0.13711 0.35952 0.60697 1.00000
O10 O 0.62742 0.85595 0.11578 1.00000
O11 O 0.64409 0.14102 0.38800 1.00000
O12 O 0.14320 0.62591 0.88659 1.00000
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