Sb(PO3)2
Alexandria ALEXAlex-ID: agm005658561 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1512_spg63
Sb(PO3)3 Sb
2023-07-09 02:52:30.108573
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658561).
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 agm005658561
data_agm005658561
_cell_length_a 5.08053
_cell_length_b 7.18194
_cell_length_c 7.18175
_cell_angle_alpha 78.32098
_cell_angle_beta 89.63210
_cell_angle_gamma 89.63298
_cell_volume 256.61430
_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
Sb1 Sb 0.25000 0.08663 0.91338 1.00000
Sb2 Sb 0.75000 0.91337 0.08662 1.00000
P1 P 0.25373 0.61055 0.78446 1.00000
P2 P 0.24627 0.21554 0.38945 1.00000
P3 P 0.74627 0.38945 0.21554 1.00000
P4 P 0.75373 0.78446 0.61055 1.00000
O1 O 0.50803 0.63792 0.64413 1.00000
O2 O 0.99197 0.35587 0.36208 1.00000
O3 O 0.49197 0.36208 0.35587 1.00000
O4 O 0.00803 0.64413 0.63792 1.00000
O5 O 0.74929 0.88096 0.40412 1.00000
O6 O 0.75072 0.59588 0.11904 1.00000
O7 O 0.25071 0.11904 0.59588 1.00000
O8 O 0.24928 0.40412 0.88096 1.00000
O9 O 0.25139 0.75445 0.90908 1.00000
O10 O 0.24860 0.09093 0.24554 1.00000
O11 O 0.74861 0.24555 0.09092 1.00000
O12 O 0.75140 0.90907 0.75446 1.00000
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