LiPr2BiO5
Alexandria ALEXAlex-ID: agm005145608 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
Li3BiO3 Pr3Bi5O12 Pr2O3
2023-01-09 14:57:19.451871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005145608).
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 agm005145608
data_agm005145608
_cell_length_a 3.51293
_cell_length_b 7.13519
_cell_length_c 10.37372
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.25093
_cell_volume 252.01994
_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 0.50184 0.00368 0.00084 1.00000
Li2 Li 0.49816 0.99632 0.50084 1.00000
Pr1 Pr 0.88863 0.77725 0.79802 1.00000
Pr2 Pr 0.12441 0.24883 0.68504 1.00000
Pr3 Pr 0.11137 0.22275 0.29802 1.00000
Pr4 Pr 0.87559 0.75117 0.18504 1.00000
Bi1 Bi 0.81300 0.62600 0.49173 1.00000
Bi2 Bi 0.18700 0.37400 0.99173 1.00000
O1 O 0.35523 0.71047 0.00849 1.00000
O2 O 0.71207 0.42413 0.81801 1.00000
O3 O 0.50617 0.01235 0.80431 1.00000
O4 O 0.30279 0.60558 0.63989 1.00000
O5 O 0.97086 0.94172 0.57763 1.00000
O6 O 0.64477 0.28953 0.50849 1.00000
O7 O 0.28793 0.57587 0.31801 1.00000
O8 O 0.49383 0.98765 0.30431 1.00000
O9 O 0.69721 0.39442 0.13989 1.00000
O10 O 0.02914 0.05828 0.07763 1.00000
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