LiBi(PO3)4
Alexandria ALEXAlex-ID: agm005235682 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_7_spg15
LiBi(PO3)4
2024-10-06 01:22:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235682).
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 agm005235682
data_agm005235682
_cell_length_a 9.06077
_cell_length_b 9.06077
_cell_length_c 10.06430
_cell_angle_alpha 58.14038
_cell_angle_beta 58.14038
_cell_angle_gamma 47.91661
_cell_volume 500.58297
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.26162 0.73838 0.75000 1.00000
Bi2 Bi 0.73838 0.26162 0.25000 1.00000
P1 P 0.30360 0.42333 0.15927 1.00000
P2 P 0.67460 0.02237 0.09729 1.00000
P3 P 0.97763 0.32540 0.40271 1.00000
P4 P 0.57667 0.69640 0.34073 1.00000
P5 P 0.42333 0.30360 0.65927 1.00000
P6 P 0.02237 0.67460 0.59729 1.00000
P7 P 0.32540 0.97763 0.90271 1.00000
P8 P 0.69640 0.57667 0.84073 1.00000
O1 O 0.74764 0.00947 0.21109 1.00000
O2 O 0.17766 0.60777 0.04119 1.00000
O3 O 0.15529 0.36846 0.32990 1.00000
O4 O 0.44389 0.22609 0.09227 1.00000
O5 O 0.57276 0.55788 0.80014 1.00000
O6 O 0.77391 0.55611 0.40773 1.00000
O7 O 0.63154 0.84471 0.17010 1.00000
O8 O 0.98581 0.17967 0.56936 1.00000
O9 O 0.39223 0.82234 0.45881 1.00000
O10 O 0.82033 0.01419 0.93064 1.00000
O11 O 0.99053 0.25236 0.28891 1.00000
O12 O 0.44212 0.42724 0.69986 1.00000
O13 O 0.55788 0.57276 0.30014 1.00000
O14 O 0.00947 0.74764 0.71109 1.00000
O15 O 0.17967 0.98581 0.06936 1.00000
O16 O 0.60777 0.17766 0.54119 1.00000
O17 O 0.01419 0.82033 0.43064 1.00000
O18 O 0.36846 0.15529 0.82990 1.00000
O19 O 0.22609 0.44389 0.59227 1.00000
O20 O 0.42724 0.44212 0.19986 1.00000
O21 O 0.55611 0.77391 0.90773 1.00000
O22 O 0.84471 0.63154 0.67010 1.00000
O23 O 0.82234 0.39223 0.95881 1.00000
O24 O 0.25236 0.99053 0.78891 1.00000
