Bi3P3O14
Alexandria ALEXAlex-ID: agm005290490 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C14_4_spg5
Bi3P3O14
2023-05-08 08:27:28.803910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290490).
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 agm005290490
data_agm005290490
_cell_length_a 7.10094
_cell_length_b 7.10094
_cell_length_c 6.47815
_cell_angle_alpha 89.90432
_cell_angle_beta 89.90432
_cell_angle_gamma 61.19500
_cell_volume 286.23137
_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
Bi1 Bi 0.00467 0.46782 0.34050 1.00000
Bi2 Bi 0.53218 0.99533 0.65950 1.00000
Bi3 Bi 0.47825 0.52175 0.00000 1.00000
P1 P 0.99572 0.44809 0.83181 1.00000
P2 P 0.55191 0.00428 0.16819 1.00000
P3 P 0.44948 0.55052 0.50000 1.00000
O1 O 0.86613 0.64792 0.68835 1.00000
O2 O 0.51048 0.86860 0.00608 1.00000
O3 O 0.63506 0.49494 0.34192 1.00000
O4 O 0.35208 0.13387 0.31165 1.00000
O5 O 0.50506 0.36494 0.65808 1.00000
O6 O 0.13140 0.48952 0.99392 1.00000
O7 O 0.84051 0.39586 0.95896 1.00000
O8 O 0.73191 0.86615 0.32392 1.00000
O9 O 0.40661 0.74517 0.63864 1.00000
O10 O 0.60414 0.15949 0.04104 1.00000
O11 O 0.25483 0.59339 0.36136 1.00000
O12 O 0.13385 0.26809 0.67608 1.00000
O13 O 0.88343 0.95178 0.77464 1.00000
O14 O 0.04822 0.11657 0.22536 1.00000
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