Basic Information
Formula
Ho2Ru2O7
MP-ID
mp-30889
Elements
3
Sites
22
Density
8.0297
g/cm³
Volume
266.36
ų
Cell a
7.2220
Å
Cell b
7.2220
Å
Cell c
7.2220
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fd-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.02 | 5.8968 | 5.0 | (1,1,1) |
| 29.00 | 3.0795 | 2.0 | (2,2,1) |
| 30.31 | 2.9484 | 100.0 | (2,2,2) |
| 35.15 | 2.5534 | 32.7 | (2,2,0) |
| 38.42 | 2.3431 | 5.1 | (3,2,2) |
| 46.18 | 1.9656 | 2.1 | (3,3,3) |
| 50.55 | 1.8055 | 47.2 | (4,2,2) |
| 53.05 | 1.7264 | 1.7 | (4,3,2) |
| 60.09 | 1.5397 | 42.5 | (4,4,2) |
| 63.06 | 1.4742 | 9.6 | (4,4,4) |
| 74.29 | 1.2767 | 6.8 | (4,4,0) |
| 82.30 | 1.1716 | 17.3 | (6,4,4) |
| 84.93 | 1.1419 | 13.8 | (6,4,2) |
Energy Properties
Formation Energy/atom
-2.59280
eV/atom
Energy/atom
-8.26370
eV/atom
Energy above Hull
0.0330
eV/atom
Uncorrected Energy
-7.8265
eV/atom
Volume/atom
12.11
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
2.1412
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.008040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.539
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30889
Reference Citation
The crystal structure and related material properties of Ho2Ru2O7 were obtained from the Materials Project database (MP-ID: mp-30889, 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_Ho2Ru2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22202097
_cell_length_b 7.22202097
_cell_length_c 7.22202097
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Ru2O7
_chemical_formula_sum 'Ho4 Ru4 O14'
_cell_volume 266.35523510
_cell_formula_units_Z 2
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
Ho Ho0 1 0.62500000 0.62500000 0.12500000 1.0
Ho Ho1 1 0.62500000 0.12500000 0.62500000 1.0
Ho Ho2 1 0.12500000 0.62500000 0.62500000 1.0
Ho Ho3 1 0.62500000 0.62500000 0.62500000 1.0
Ru Ru4 1 0.12500000 0.12500000 0.62500000 1.0
Ru Ru5 1 0.12500000 0.62500000 0.12500000 1.0
Ru Ru6 1 0.62500000 0.12500000 0.12500000 1.0
Ru Ru7 1 0.12500000 0.12500000 0.12500000 1.0
O O8 1 0.46339300 0.03660700 0.46339300 1.0
O O9 1 0.21339300 0.78660700 0.78660700 1.0
O O10 1 0.78660700 0.21339300 0.21339300 1.0
O O11 1 0.21339300 0.78660700 0.21339300 1.0
O O12 1 0.78660700 0.78660700 0.21339300 1.0
O O13 1 0.21339300 0.21339300 0.78660700 1.0
O O14 1 0.46339300 0.46339300 0.03660700 1.0
O O15 1 0.03660700 0.46339300 0.46339300 1.0
O O16 1 0.46339300 0.03660700 0.03660700 1.0
O O17 1 0.03660700 0.03660700 0.46339300 1.0
O O18 1 0.78660700 0.21339300 0.78660700 1.0
O O19 1 0.03660700 0.46339300 0.03660700 1.0
O O20 1 0.50000000 0.50000000 0.50000000 1.0
O O21 1 0.75000000 0.75000000 0.75000000 1.0
