Yb2P4O13
Alexandria ALEXAlex-ID: agm003245656 · Space group: C222_1 (#20)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C13_2_spg20
Yb2P4O13
2022-01-01 10:50:34.622096
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245656).
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 agm003245656
data_agm003245656
_cell_length_a 9.48967
_cell_length_b 9.48967
_cell_length_c 8.71330
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 135.76497
_cell_volume 547.38630
_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 0.89385 0.60342 0.35525 1.00000
Yb2 Yb 0.39658 0.10615 0.14475 1.00000
Yb3 Yb 0.60342 0.89385 0.64475 1.00000
Yb4 Yb 0.10615 0.39658 0.85525 1.00000
P1 P 0.85055 0.72340 0.72785 1.00000
P2 P 0.27660 0.14945 0.77215 1.00000
P3 P 0.41803 0.09802 0.49933 1.00000
P4 P 0.90198 0.58197 0.00067 1.00000
P5 P 0.09802 0.41803 0.50067 1.00000
P6 P 0.58197 0.90198 0.99933 1.00000
P7 P 0.14945 0.27660 0.22785 1.00000
P8 P 0.72340 0.85055 0.27215 1.00000
O1 O 0.25607 0.21534 0.20748 1.00000
O2 O 0.78466 0.74393 0.29252 1.00000
O3 O 0.08778 0.91222 0.75000 1.00000
O4 O 0.38014 0.20876 0.60674 1.00000
O5 O 0.79124 0.61986 0.89326 1.00000
O6 O 0.40284 0.17405 0.89602 1.00000
O7 O 0.82595 0.59716 0.60398 1.00000
O8 O 0.22681 0.92945 0.40421 1.00000
O9 O 0.07055 0.77319 0.09579 1.00000
O10 O 0.73835 0.42296 0.11696 1.00000
O11 O 0.57704 0.26165 0.38304 1.00000
O12 O 0.97476 0.51643 0.89753 1.00000
O13 O 0.48357 0.02524 0.60247 1.00000
O14 O 0.02524 0.48357 0.39753 1.00000
O15 O 0.51643 0.97476 0.10247 1.00000
O16 O 0.26165 0.57704 0.61696 1.00000
O17 O 0.42296 0.73835 0.88304 1.00000
O18 O 0.77319 0.07055 0.90421 1.00000
O19 O 0.92945 0.22681 0.59579 1.00000
O20 O 0.59716 0.82595 0.39602 1.00000
O21 O 0.17405 0.40284 0.10398 1.00000
O22 O 0.20876 0.38014 0.39326 1.00000
O23 O 0.61986 0.79124 0.10674 1.00000
O24 O 0.91222 0.08778 0.25000 1.00000
O25 O 0.21534 0.25607 0.79252 1.00000
O26 O 0.74393 0.78466 0.70748 1.00000
