Basic Information
Formula
FeRhO3
MP-ID
mp-973648
Elements
3
Sites
5
Density
6.4068
g/cm³
Volume
53.59
ų
Cell a
3.7701
Å
Cell b
3.7701
Å
Cell c
3.7701
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.60 | 3.7701 | 4.5 | (1,0,0) |
| 33.62 | 2.6658 | 100.0 | (1,1,0) |
| 41.49 | 2.1767 | 15.0 | (1,1,1) |
| 48.28 | 1.8850 | 35.0 | (2,0,0) |
| 54.42 | 1.6860 | 2.7 | (2,1,0) |
| 60.12 | 1.5391 | 36.6 | (2,1,1) |
| 70.67 | 1.3329 | 19.8 | (2,2,0) |
| 75.68 | 1.2567 | 1.5 | (2,2,1) |
| 80.58 | 1.1922 | 15.5 | (3,1,0) |
| 85.41 | 1.1367 | 4.4 | (3,1,1) |
Energy Properties
Formation Energy/atom
-0.46695
eV/atom
Energy/atom
-6.60259
eV/atom
Energy above Hull
0.9351
eV/atom
Uncorrected Energy
-5.7392
eV/atom
Volume/atom
10.72
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.7374
μB
Mag. Ordering
FM
Mag. Sites
5
Magnetization/Volume
0.144390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.334
Family
O-rich Multi-Component
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973648
Reference Citation
The crystal structure and related material properties of FeRhO3 were obtained from the Materials Project database (MP-ID: mp-973648, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_FeRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77007300
_cell_length_b 3.77007300
_cell_length_c 3.77007300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeRhO3
_chemical_formula_sum 'Fe1 Rh1 O3'
_cell_volume 53.58574569
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh1 1 0.50000000 0.50000000 0.50000000 1.0
O O2 1 0.00000000 0.00000000 0.50000000 1.0
O O3 1 0.00000000 0.50000000 0.00000000 1.0
O O4 1 0.50000000 0.00000000 0.00000000 1.0
