Cr3P6Pt2RhO24
Alexandria ALEXAlex-ID: agm010967460 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
Cr(PO3)3 Pt3O4 CrPO4 Pt RhO2
2024-06-24 11:36:16.459315
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010967460).
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 agm010967460
data_agm010967460
_cell_length_a 8.63295
_cell_length_b 8.63295
_cell_length_c 8.63295
_cell_angle_alpha 59.47874
_cell_angle_beta 59.47874
_cell_angle_gamma 59.47874
_cell_volume 449.55542
_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
Cr1 Cr 0.64430 0.64430 0.64430 1.00000
Cr2 Cr 0.85612 0.85612 0.85612 1.00000
Cr3 Cr 0.35754 0.35754 0.35754 1.00000
P1 P 0.25210 0.95898 0.54036 1.00000
P2 P 0.95898 0.54036 0.25210 1.00000
P3 P 0.54036 0.25210 0.95898 1.00000
P4 P 0.46021 0.74856 0.04253 1.00000
P5 P 0.04253 0.46021 0.74856 1.00000
P6 P 0.74856 0.04253 0.46021 1.00000
Pt1 Pt 0.99741 0.99741 0.99741 1.00000
Pt2 Pt 0.50155 0.50155 0.50155 1.00000
Rh1 Rh 0.14106 0.14106 0.14106 1.00000
O1 O 0.11188 0.50192 0.31618 1.00000
O2 O 0.50192 0.31618 0.11188 1.00000
O3 O 0.31618 0.11188 0.50192 1.00000
O4 O 0.07317 0.95771 0.73240 1.00000
O5 O 0.20733 0.97473 0.38255 1.00000
O6 O 0.40385 0.75206 0.58478 1.00000
O7 O 0.95771 0.73240 0.07317 1.00000
O8 O 0.75206 0.58478 0.40385 1.00000
O9 O 0.61246 0.80885 0.01267 1.00000
O10 O 0.58478 0.40385 0.75206 1.00000
O11 O 0.26301 0.92448 0.04065 1.00000
O12 O 0.01267 0.61246 0.80885 1.00000
O13 O 0.97473 0.38255 0.20733 1.00000
O14 O 0.73240 0.07317 0.95771 1.00000
O15 O 0.41990 0.59770 0.24960 1.00000
O16 O 0.38255 0.20733 0.97473 1.00000
O17 O 0.24960 0.41990 0.59770 1.00000
O18 O 0.04065 0.26301 0.92448 1.00000
O19 O 0.59770 0.24960 0.41990 1.00000
O20 O 0.80885 0.01267 0.61246 1.00000
O21 O 0.92448 0.04065 0.26301 1.00000
O22 O 0.67939 0.89337 0.49855 1.00000
O23 O 0.49855 0.67939 0.89337 1.00000
O24 O 0.89337 0.49855 0.67939 1.00000
