MnCrP3RhO12
Alexandria ALEXAlex-ID: agm010954367 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E12_0_spg161
Mn5Cr2(P2O7)4 CrPO4 Cr(PO3)3 RhO2
2024-07-19 08:39:05.049640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010954367).
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 agm010954367
data_agm010954367
_cell_length_a 8.43721
_cell_length_b 8.43711
_cell_length_c 8.52880
_cell_angle_alpha 61.34001
_cell_angle_beta 61.31200
_cell_angle_gamma 61.35725
_cell_volume 442.19813
_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
Mn1 Mn 0.85930 0.85102 0.85771 1.00000
Mn2 Mn 0.35065 0.35951 0.35771 1.00000
Cr1 Cr 0.99775 0.00116 0.00054 1.00000
Cr2 Cr 0.50114 0.49769 0.50050 1.00000
P1 P 0.54453 0.96073 0.25211 1.00000
P2 P 0.24848 0.54832 0.95204 1.00000
P3 P 0.95538 0.24741 0.54760 1.00000
P4 P 0.04820 0.74858 0.45180 1.00000
P5 P 0.74754 0.45530 0.04739 1.00000
P6 P 0.46109 0.04485 0.75182 1.00000
Rh1 Rh 0.63927 0.64138 0.63918 1.00000
Rh2 Rh 0.14179 0.13896 0.13916 1.00000
O1 O 0.48778 0.89928 0.67855 1.00000
O2 O 0.89544 0.68300 0.48018 1.00000
O3 O 0.74915 0.94701 0.10396 1.00000
O4 O 0.68323 0.48554 0.89493 1.00000
O5 O 0.39950 0.98615 0.17884 1.00000
O6 O 0.56166 0.75184 0.40620 1.00000
O7 O 0.08716 0.75279 0.93539 1.00000
O8 O 0.40148 0.56911 0.74427 1.00000
O9 O 0.01668 0.81990 0.59839 1.00000
O10 O 0.74698 0.40425 0.56525 1.00000
O11 O 0.06919 0.90149 0.24408 1.00000
O12 O 0.82116 0.60544 0.01267 1.00000
O13 O 0.18273 0.39549 0.98093 1.00000
O14 O 0.93644 0.09250 0.75117 1.00000
O15 O 0.25275 0.58734 0.43522 1.00000
O16 O 0.98641 0.18282 0.39501 1.00000
O17 O 0.59270 0.43613 0.25110 1.00000
O18 O 0.90468 0.24710 0.06504 1.00000
O19 O 0.44651 0.24950 0.60374 1.00000
O20 O 0.61395 0.99433 0.82950 1.00000
O21 O 0.31986 0.51721 0.09840 1.00000
O22 O 0.25223 0.06136 0.90612 1.00000
O23 O 0.10487 0.32167 0.51330 1.00000
O24 O 0.49236 0.11384 0.33022 1.00000
