Gd4B4O11F2
Alexandria ALEXAlex-ID: agm003249031 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C4D11_0_spg15
Gd(BO2)3 GdBO3 GdF3
2021-12-20 03:54:56.798119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003249031).
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 agm003249031
data_agm003249031
_cell_length_a 7.24760
_cell_length_b 7.24760
_cell_length_c 13.84464
_cell_angle_alpha 89.12102
_cell_angle_beta 89.12102
_cell_angle_gamma 37.73914
_cell_volume 445.05408
_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
Gd1 Gd 0.45805 0.42196 0.37084 1.00000
Gd2 Gd 0.57804 0.54195 0.12916 1.00000
Gd3 Gd 0.54195 0.57804 0.62916 1.00000
Gd4 Gd 0.42196 0.45805 0.87084 1.00000
Gd5 Gd 0.73388 0.70567 0.36872 1.00000
Gd6 Gd 0.29433 0.26612 0.13128 1.00000
Gd7 Gd 0.26612 0.29433 0.63128 1.00000
Gd8 Gd 0.70567 0.73388 0.86872 1.00000
B1 B 0.06680 0.11901 0.28607 1.00000
B2 B 0.88099 0.93320 0.21393 1.00000
B3 B 0.93320 0.88099 0.71393 1.00000
B4 B 0.11901 0.06680 0.78607 1.00000
B5 B 0.85917 0.94931 0.52498 1.00000
B6 B 0.05069 0.14083 0.97502 1.00000
B7 B 0.14083 0.05069 0.47502 1.00000
B8 B 0.94931 0.85917 0.02498 1.00000
O1 O 0.95618 0.22044 0.39390 1.00000
O2 O 0.77956 0.04382 0.10610 1.00000
O3 O 0.04382 0.77956 0.60610 1.00000
O4 O 0.22044 0.95618 0.89390 1.00000
O5 O 0.63825 0.01424 0.25688 1.00000
O6 O 0.98576 0.36175 0.24312 1.00000
O7 O 0.36175 0.98576 0.74312 1.00000
O8 O 0.01424 0.63825 0.75688 1.00000
O9 O 0.58699 0.25424 0.53536 1.00000
O10 O 0.74576 0.41301 0.96464 1.00000
O11 O 0.41301 0.74576 0.46464 1.00000
O12 O 0.25424 0.58699 0.03536 1.00000
O13 O 0.84319 0.15681 0.25000 1.00000
O14 O 0.15681 0.84319 0.75000 1.00000
O15 O 0.94543 0.82411 0.43486 1.00000
O16 O 0.17589 0.05457 0.06514 1.00000
O17 O 0.05457 0.17589 0.56514 1.00000
O18 O 0.82411 0.94543 0.93486 1.00000
O19 O 0.37507 0.82425 0.27429 1.00000
O20 O 0.17575 0.62493 0.22571 1.00000
O21 O 0.62493 0.17575 0.72571 1.00000
O22 O 0.82425 0.37507 0.77429 1.00000
F1 F 0.29565 0.24444 0.42173 1.00000
F2 F 0.75556 0.70435 0.07827 1.00000
F3 F 0.70435 0.75556 0.57827 1.00000
F4 F 0.24444 0.29565 0.92173 1.00000
