YbP3O10
Alexandria ALEXAlex-ID: agm005227945 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C10_54_spg5
Yb2P4O13 P2O5 O2
2023-05-06 20:42:10.126497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227945).
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 agm005227945
data_agm005227945
_cell_length_a 7.03354
_cell_length_b 7.03354
_cell_length_c 5.60950
_cell_angle_alpha 68.02286
_cell_angle_beta 68.02286
_cell_angle_gamma 56.51470
_cell_volume 209.51913
_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
Yb1 Yb 0.93188 0.06812 0.50000 1.00000
P1 P 0.29519 0.70481 0.00000 1.00000
P2 P 0.82567 0.50752 0.83968 1.00000
P3 P 0.49248 0.17433 0.16032 1.00000
O1 O 0.54754 0.67696 0.93128 1.00000
O2 O 0.32304 0.45246 0.06872 1.00000
O3 O 0.15685 0.81081 0.23716 1.00000
O4 O 0.18919 0.84315 0.76284 1.00000
O5 O 0.85843 0.38044 0.64780 1.00000
O6 O 0.61956 0.14157 0.35220 1.00000
O7 O 0.92931 0.67201 0.70839 1.00000
O8 O 0.32799 0.07069 0.29161 1.00000
O9 O 0.90794 0.34466 0.09200 1.00000
O10 O 0.65534 0.09206 0.90800 1.00000
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