BiP2O7
Alexandria ALEXAlex-ID: agm003246802 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1_spg15
Bi3P3O14 Bi(PO3)3 O2
2021-12-20 00:34:33.724177
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246802).
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 agm003246802
data_agm003246802
_cell_length_a 6.81541
_cell_length_b 6.81541
_cell_length_c 14.05003
_cell_angle_alpha 74.00117
_cell_angle_beta 74.00117
_cell_angle_gamma 80.01613
_cell_volume 599.68592
_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 0.37970 0.88337 0.86243 1.00000
Bi2 Bi 0.88337 0.37970 0.36243 1.00000
Bi3 Bi 0.11663 0.62030 0.63757 1.00000
Bi4 Bi 0.62030 0.11663 0.13757 1.00000
P1 P 0.89144 0.76232 0.86825 1.00000
P2 P 0.10856 0.23768 0.13175 1.00000
P3 P 0.76232 0.89144 0.36825 1.00000
P4 P 0.66771 0.59496 0.57062 1.00000
P5 P 0.59496 0.66771 0.07062 1.00000
P6 P 0.33229 0.40504 0.42938 1.00000
P7 P 0.40504 0.33229 0.92938 1.00000
P8 P 0.23768 0.10856 0.63175 1.00000
O1 O 0.78728 0.67489 0.62788 1.00000
O2 O 0.32511 0.21272 0.87212 1.00000
O3 O 0.45691 0.54547 0.63921 1.00000
O4 O 0.39407 0.98535 0.69204 1.00000
O5 O 0.67489 0.78728 0.12788 1.00000
O6 O 0.54309 0.45453 0.36079 1.00000
O7 O 0.60593 0.01465 0.30796 1.00000
O8 O 0.38002 0.21834 0.52357 1.00000
O9 O 0.54547 0.45691 0.13921 1.00000
O10 O 0.02879 0.89423 0.88960 1.00000
O11 O 0.10577 0.97121 0.61040 1.00000
O12 O 0.21345 0.58725 0.47225 1.00000
O13 O 0.01465 0.60593 0.80796 1.00000
O14 O 0.41275 0.78655 0.02775 1.00000
O15 O 0.09556 0.27634 0.67866 1.00000
O16 O 0.21272 0.32511 0.37212 1.00000
O17 O 0.78166 0.61998 0.97643 1.00000
O18 O 0.45453 0.54309 0.86079 1.00000
O19 O 0.72366 0.90444 0.82134 1.00000
O20 O 0.21834 0.38002 0.02357 1.00000
O21 O 0.27634 0.09556 0.17866 1.00000
O22 O 0.90444 0.72366 0.32134 1.00000
O23 O 0.58725 0.21345 0.97225 1.00000
O24 O 0.98535 0.39407 0.19204 1.00000
O25 O 0.78655 0.41275 0.52775 1.00000
O26 O 0.89423 0.02879 0.38960 1.00000
O27 O 0.97121 0.10577 0.11040 1.00000
O28 O 0.61998 0.78166 0.47643 1.00000
