Al2PO7
Alexandria ALEXAlex-ID: agm005263841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_491_spg12
AlPO4 Al2O3 AlO5
2023-05-08 13:20:38.765342
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005263841).
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 agm005263841
data_agm005263841
_cell_length_a 7.88462
_cell_length_b 7.88462
_cell_length_c 5.20550
_cell_angle_alpha 69.61701
_cell_angle_beta 69.61701
_cell_angle_gamma 63.54442
_cell_volume 264.29316
_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
Al1 Al 0.21114 0.78886 0.00000 1.00000
Al2 Al 0.78886 0.21114 0.00000 1.00000
Al3 Al 0.21511 0.21511 0.54069 1.00000
Al4 Al 0.78489 0.78489 0.45931 1.00000
P1 P 0.36651 0.36651 0.88170 1.00000
P2 P 0.63349 0.63349 0.11830 1.00000
O1 O 0.26932 0.26932 0.17373 1.00000
O2 O 0.73068 0.73068 0.82627 1.00000
O3 O 0.32164 0.32164 0.65317 1.00000
O4 O 0.67836 0.67836 0.34683 1.00000
O5 O 0.58808 0.28588 0.84211 1.00000
O6 O 0.28588 0.58808 0.84211 1.00000
O7 O 0.41192 0.71412 0.15789 1.00000
O8 O 0.71412 0.41192 0.15789 1.00000
O9 O 0.06331 0.06331 0.07109 1.00000
O10 O 0.93669 0.93669 0.92891 1.00000
O11 O 0.28746 0.96066 0.68606 1.00000
O12 O 0.96066 0.28746 0.68606 1.00000
O13 O 0.71254 0.03934 0.31394 1.00000
O14 O 0.03934 0.71254 0.31394 1.00000
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