Basic Information
Formula
Er2Ru2O7
MP-ID
mp-30902
Elements
3
Sites
22
Density
8.2055
g/cm³
Volume
262.53
ų
Cell a
7.1873
Å
Cell b
7.1873
Å
Cell c
7.1873
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 |
|---|---|---|---|
| 15.10 | 5.8684 | 5.3 | (1,1,1) |
| 29.14 | 3.0647 | 2.3 | (2,2,1) |
| 30.46 | 2.9342 | 100.0 | (2,2,2) |
| 35.32 | 2.5411 | 33.1 | (2,2,0) |
| 38.61 | 2.3319 | 5.3 | (3,1,1) |
| 46.42 | 1.9561 | 2.2 | (3,3,1) |
| 50.81 | 1.7968 | 46.7 | (4,2,2) |
| 53.32 | 1.7181 | 1.8 | (4,3,2) |
| 60.41 | 1.5323 | 42.4 | (4,4,2) |
| 63.40 | 1.4671 | 9.8 | (4,4,4) |
| 74.71 | 1.2706 | 6.8 | (4,4,0) |
| 82.78 | 1.1659 | 17.4 | (6,2,2) |
| 85.43 | 1.1364 | 14.0 | (6,4,2) |
Energy Properties
Formation Energy/atom
-2.60679
eV/atom
Energy/atom
-8.27224
eV/atom
Energy above Hull
0.0324
eV/atom
Uncorrected Energy
-7.8351
eV/atom
Volume/atom
11.93
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
8.0077
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.030500
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
0.540
Family
O-rich Multi-Component
Matrix Element
O · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30902
Reference Citation
The crystal structure and related material properties of Er2Ru2O7 were obtained from the Materials Project database (MP-ID: mp-30902, 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_Er2Ru2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18731900
_cell_length_b 7.18731900
_cell_length_c 7.18731900
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ru2O7
_chemical_formula_sum 'Er4 Ru4 O14'
_cell_volume 262.53412597
_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
Er Er0 1 0.12500000 0.12500000 0.62500000 1.0
Er Er1 1 0.12500000 0.62500000 0.12500000 1.0
Er Er2 1 0.62500000 0.12500000 0.12500000 1.0
Er Er3 1 0.12500000 0.12500000 0.12500000 1.0
Ru Ru4 1 0.62500000 0.62500000 0.12500000 1.0
Ru Ru5 1 0.62500000 0.12500000 0.62500000 1.0
Ru Ru6 1 0.12500000 0.62500000 0.62500000 1.0
Ru Ru7 1 0.62500000 0.62500000 0.62500000 1.0
O O8 1 0.25000000 0.25000000 0.25000000 1.0
O O9 1 0.00000000 0.00000000 0.00000000 1.0
O O10 1 0.53840700 0.96159300 0.53840700 1.0
O O11 1 0.28840700 0.71159300 0.28840700 1.0
O O12 1 0.53840700 0.53840700 0.96159300 1.0
O O13 1 0.96159300 0.53840700 0.53840700 1.0
O O14 1 0.53840700 0.96159300 0.96159300 1.0
O O15 1 0.96159300 0.96159300 0.53840700 1.0
O O16 1 0.96159300 0.53840700 0.96159300 1.0
O O17 1 0.71159300 0.28840700 0.28840700 1.0
O O18 1 0.28840700 0.71159300 0.71159300 1.0
O O19 1 0.71159300 0.28840700 0.71159300 1.0
O O20 1 0.28840700 0.28840700 0.71159300 1.0
O O21 1 0.71159300 0.71159300 0.28840700 1.0
