YPO6
Alexandria ALEXAlex-ID: agm005249995 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_141_spg15
YPO6
2022-12-12 12:34:34.689321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005249995).
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 agm005249995
data_agm005249995
_cell_length_a 9.49006
_cell_length_b 9.49006
_cell_length_c 5.73295
_cell_angle_alpha 83.35786
_cell_angle_beta 83.35786
_cell_angle_gamma 144.12241
_cell_volume 280.44219
_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
Y1 Y 0.30608 0.69392 0.75000 1.00000
Y2 Y 0.69392 0.30608 0.25000 1.00000
P1 P 0.82738 0.17262 0.75000 1.00000
P2 P 0.17262 0.82738 0.25000 1.00000
O1 O 0.70862 0.15605 0.56169 1.00000
O2 O 0.29138 0.84395 0.43831 1.00000
O3 O 0.84395 0.29138 0.93831 1.00000
O4 O 0.15605 0.70862 0.06169 1.00000
O5 O 0.16063 0.06081 0.68321 1.00000
O6 O 0.83937 0.93919 0.31679 1.00000
O7 O 0.93919 0.83937 0.81679 1.00000
O8 O 0.06081 0.16063 0.18321 1.00000
O9 O 0.63111 0.88907 0.87987 1.00000
O10 O 0.36889 0.11093 0.12013 1.00000
O11 O 0.11093 0.36889 0.62013 1.00000
O12 O 0.88907 0.63111 0.37987 1.00000
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