LiBi(PO3)4
Alexandria ALEXAlex-ID: agm005261815 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_77_spg15
LiBi(PO3)4
2024-10-06 01:33:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005261815).
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 agm005261815
data_agm005261815
_cell_length_a 7.29723
_cell_length_b 7.29723
_cell_length_c 10.17355
_cell_angle_alpha 90.31359
_cell_angle_beta 90.31359
_cell_angle_gamma 109.48353
_cell_volume 510.69268
_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 0.30807 0.69193 0.75000 1.00000
Li2 Li 0.69193 0.30807 0.25000 1.00000
Bi1 Bi 0.61580 0.38420 0.75000 1.00000
Bi2 Bi 0.38420 0.61580 0.25000 1.00000
P1 P 0.09785 0.76716 0.02513 1.00000
P2 P 0.76716 0.09785 0.52513 1.00000
P3 P 0.70131 0.80253 0.97193 1.00000
P4 P 0.19747 0.29869 0.52807 1.00000
P5 P 0.80253 0.70131 0.47193 1.00000
P6 P 0.29869 0.19747 0.02807 1.00000
P7 P 0.23284 0.90215 0.47487 1.00000
P8 P 0.90215 0.23284 0.97487 1.00000
O1 O 0.17404 0.75720 0.89245 1.00000
O2 O 0.63962 0.12630 0.63498 1.00000
O3 O 0.59647 0.68073 0.85545 1.00000
O4 O 0.75720 0.17404 0.39245 1.00000
O5 O 0.42371 0.18319 0.91384 1.00000
O6 O 0.12630 0.63962 0.13498 1.00000
O7 O 0.28130 0.13582 0.47402 1.00000
O8 O 0.82454 0.01170 0.91602 1.00000
O9 O 0.98830 0.17546 0.58398 1.00000
O10 O 0.86418 0.71870 0.02598 1.00000
O11 O 0.68073 0.59647 0.35545 1.00000
O12 O 0.81681 0.57629 0.58616 1.00000
O13 O 0.18319 0.42371 0.41384 1.00000
O14 O 0.31927 0.40353 0.64455 1.00000
O15 O 0.13582 0.28130 0.97402 1.00000
O16 O 0.01170 0.82454 0.41602 1.00000
O17 O 0.17546 0.98830 0.08398 1.00000
O18 O 0.71870 0.86418 0.52598 1.00000
O19 O 0.87370 0.36038 0.86502 1.00000
O20 O 0.57629 0.81681 0.08616 1.00000
O21 O 0.24280 0.82596 0.60755 1.00000
O22 O 0.40353 0.31927 0.14455 1.00000
O23 O 0.36038 0.87370 0.36502 1.00000
O24 O 0.82596 0.24280 0.10755 1.00000
