Yb7(PO6)2
Alexandria ALEXAlex-ID: agm081884841 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_92_spg14
Yb2P2O7 YbO
2025-03-03 08:43:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081884841).
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 agm081884841
data_agm081884841
_cell_length_a 9.01147
_cell_length_b 8.40066
_cell_length_c 10.88932
_cell_angle_alpha 90.00000
_cell_angle_beta 122.31532
_cell_angle_gamma 90.00000
_cell_volume 696.67108
_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 0.29063 0.24483 0.95345 1.00000
Yb2 Yb 0.70937 0.75517 0.04655 1.00000
Yb3 Yb 0.70937 0.74483 0.54655 1.00000
Yb4 Yb 0.29063 0.25517 0.45345 1.00000
Yb5 Yb 0.54520 0.49924 0.26622 1.00000
Yb6 Yb 0.45480 0.50076 0.73378 1.00000
Yb7 Yb 0.45480 0.99924 0.23378 1.00000
Yb8 Yb 0.54520 0.00076 0.76622 1.00000
Yb9 Yb 0.21285 0.82715 0.80962 1.00000
Yb10 Yb 0.78715 0.17285 0.19038 1.00000
Yb11 Yb 0.78715 0.32715 0.69038 1.00000
Yb12 Yb 0.21285 0.67285 0.30962 1.00000
Yb13 Yb 0.00000 0.00000 0.00000 1.00000
Yb14 Yb 0.00000 0.50000 0.50000 1.00000
P1 P 0.10902 0.18114 0.63396 1.00000
P2 P 0.89098 0.81886 0.36604 1.00000
P3 P 0.89098 0.68114 0.86604 1.00000
P4 P 0.10902 0.31886 0.13396 1.00000
O1 O 0.03365 0.21495 0.46910 1.00000
O2 O 0.96635 0.78505 0.53090 1.00000
O3 O 0.96635 0.71495 0.03090 1.00000
O4 O 0.03365 0.28505 0.96910 1.00000
O5 O 0.25410 0.51407 0.49247 1.00000
O6 O 0.74590 0.48593 0.50753 1.00000
O7 O 0.74590 0.01407 0.00753 1.00000
O8 O 0.25410 0.98593 0.99247 1.00000
O9 O 0.25215 0.44984 0.19352 1.00000
O10 O 0.74785 0.55016 0.80648 1.00000
O11 O 0.74785 0.94984 0.30648 1.00000
O12 O 0.25215 0.05016 0.69352 1.00000
O13 O 0.97072 0.14055 0.67057 1.00000
O14 O 0.02928 0.85945 0.32943 1.00000
O15 O 0.02928 0.64055 0.82943 1.00000
O16 O 0.97072 0.35945 0.17057 1.00000
O17 O 0.20262 0.15666 0.21555 1.00000
O18 O 0.79738 0.84334 0.78445 1.00000
O19 O 0.79738 0.65666 0.28445 1.00000
O20 O 0.20262 0.34334 0.71555 1.00000
O21 O 0.46107 0.74609 0.83051 1.00000
O22 O 0.53893 0.25391 0.16949 1.00000
O23 O 0.53893 0.24609 0.66949 1.00000
O24 O 0.46107 0.75391 0.33051 1.00000
