Ge2P3RhO13
Alexandria ALEXAlex-ID: agm019944980 · Space group: P321 (#150)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D13_15_spg150
Ge5P6O25 GeP2O7 Rh RhO2
2025-01-18 17:57:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019944980).
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 agm019944980
data_agm019944980
_cell_length_a 8.37677
_cell_length_b 8.37677
_cell_length_c 9.16107
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 556.71074
_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
Ge1 Ge 0.33333 0.66667 0.00127 1.00000
Ge2 Ge 0.66667 0.33333 0.99873 1.00000
Ge3 Ge 0.33333 0.66667 0.37475 1.00000
Ge4 Ge 0.66667 0.33333 0.62525 1.00000
P1 P 0.27388 0.00000 0.00000 1.00000
P2 P 0.72612 0.72612 0.00000 1.00000
P3 P 0.00000 0.27388 0.00000 1.00000
P4 P 0.27344 0.27344 0.50000 1.00000
P5 P 0.00000 0.72656 0.50000 1.00000
P6 P 0.72656 0.00000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.25110 1.00000
Rh2 Rh 0.00000 0.00000 0.74890 1.00000
O1 O 0.31631 0.85210 0.92641 1.00000
O2 O 0.53579 0.68369 0.92641 1.00000
O3 O 0.14790 0.46421 0.92641 1.00000
O4 O 0.31974 0.46487 0.43443 1.00000
O5 O 0.14514 0.68026 0.43443 1.00000
O6 O 0.53513 0.85486 0.43443 1.00000
O7 O 0.68026 0.14514 0.56557 1.00000
O8 O 0.46487 0.31974 0.56557 1.00000
O9 O 0.85486 0.53513 0.56557 1.00000
O10 O 0.68369 0.53579 0.07359 1.00000
O11 O 0.85210 0.31631 0.07359 1.00000
O12 O 0.46421 0.14790 0.07359 1.00000
O13 O 0.13671 0.90341 0.12272 1.00000
O14 O 0.76669 0.86329 0.12272 1.00000
O15 O 0.09659 0.23331 0.12272 1.00000
O16 O 0.13465 0.23173 0.62202 1.00000
O17 O 0.09708 0.86535 0.62202 1.00000
O18 O 0.76827 0.90292 0.62202 1.00000
O19 O 0.86535 0.09708 0.37798 1.00000
O20 O 0.23173 0.13465 0.37798 1.00000
O21 O 0.90292 0.76827 0.37798 1.00000
O22 O 0.86329 0.76669 0.87728 1.00000
O23 O 0.90341 0.13671 0.87728 1.00000
O24 O 0.23331 0.09659 0.87728 1.00000
O25 O 0.33333 0.66667 0.18809 1.00000
O26 O 0.66667 0.33333 0.81191 1.00000
