Ce2P3H3O13
Alexandria ALEXAlex-ID: agm006375136 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D13_5_spg1
CeP2O7 Ce2P2O9 H2O
2024-07-21 11:29:53.925385
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006375136).
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 agm006375136
data_agm006375136
_cell_length_a 9.27554
_cell_length_b 9.27554
_cell_length_c 9.97698
_cell_angle_alpha 61.33474
_cell_angle_beta 61.33474
_cell_angle_gamma 59.84751
_cell_volume 618.17810
_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
Ce1 Ce 0.65535 0.14359 0.30459 1.00000
Ce2 Ce 0.15793 0.64973 0.80354 1.00000
Ce3 Ce 0.35027 0.84207 0.19646 1.00000
Ce4 Ce 0.85641 0.34465 0.69541 1.00000
P1 P 0.75012 0.95676 0.00342 1.00000
P2 P 0.46263 0.53737 0.00000 1.00000
P3 P 0.04324 0.24988 0.99658 1.00000
P4 P 0.54658 0.45342 0.50000 1.00000
P5 P 0.95982 0.75069 0.50825 1.00000
P6 P 0.24931 0.04018 0.49175 1.00000
H1 H 0.53913 0.93762 0.76627 1.00000
H2 H 0.35003 0.07755 0.85465 1.00000
H3 H 0.06238 0.46087 0.23373 1.00000
H4 H 0.84993 0.50423 0.34680 1.00000
H5 H 0.49577 0.15007 0.65320 1.00000
H6 H 0.92245 0.64997 0.14535 1.00000
O1 O 0.89870 0.21625 0.15939 1.00000
O2 O 0.73734 0.00063 0.14081 1.00000
O3 O 0.49982 0.38161 0.15225 1.00000
O4 O 0.00346 0.74273 0.64418 1.00000
O5 O 0.23272 0.88515 0.65134 1.00000
O6 O 0.39843 0.49117 0.65406 1.00000
O7 O 0.11485 0.76728 0.34866 1.00000
O8 O 0.25727 0.99654 0.35582 1.00000
O9 O 0.50883 0.60157 0.34594 1.00000
O10 O 0.99937 0.26266 0.85919 1.00000
O11 O 0.78375 0.10130 0.84061 1.00000
O12 O 0.61839 0.50018 0.84775 1.00000
O13 O 0.44630 0.05214 0.74521 1.00000
O14 O 0.94786 0.55370 0.25479 1.00000
O15 O 0.42085 0.06770 0.44453 1.00000
O16 O 0.56377 0.27778 0.49922 1.00000
O17 O 0.79092 0.90981 0.48351 1.00000
O18 O 0.29261 0.56055 0.98476 1.00000
O19 O 0.06914 0.41892 0.95861 1.00000
O20 O 0.90810 0.77905 0.99450 1.00000
O21 O 0.58108 0.93086 0.04139 1.00000
O22 O 0.43945 0.70739 0.01524 1.00000
O23 O 0.22095 0.09190 0.00550 1.00000
O24 O 0.72222 0.43623 0.50078 1.00000
O25 O 0.93230 0.57915 0.55547 1.00000
O26 O 0.09019 0.20908 0.51649 1.00000
