Basic Information
Formula
Yb2Co2O5
MP-ID
mp-972507
Elements
3
Sites
9
Density
10.1279
g/cm³
Volume
89.18
ų
Cell a
3.6863
Å
Cell b
3.6863
Å
Cell c
6.5631
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.49 | 6.5631 | 2.4 | (0,0,1) |
| 24.14 | 3.6863 | 32.2 | (1,0,0) |
| 27.17 | 3.2815 | 12.0 | (0,0,2) |
| 34.41 | 2.6066 | 58.7 | (1,1,0) |
| 36.66 | 2.4511 | 100.0 | (1,0,2) |
| 41.27 | 2.1877 | 2.4 | (0,0,3) |
| 44.38 | 2.0411 | 35.2 | (1,1,2) |
| 48.38 | 1.8813 | 3.9 | (1,0,3) |
| 49.45 | 1.8431 | 35.2 | (2,0,0) |
| 54.78 | 1.6757 | 1.6 | (1,1,3) |
| 55.76 | 1.6486 | 7.5 | (2,1,0) |
| 56.05 | 1.6408 | 7.3 | (0,0,4) |
| 57.33 | 1.6070 | 7.3 | (2,0,2) |
| 61.90 | 1.4990 | 12.4 | (1,0,4) |
| 63.11 | 1.4731 | 41.1 | (2,1,2) |
| 66.31 | 1.4096 | 1.9 | (2,0,3) |
| 67.45 | 1.3886 | 10.5 | (1,1,4) |
| 71.68 | 1.3166 | 2.1 | (2,1,3) |
| 72.53 | 1.3033 | 10.5 | (2,2,0) |
| 77.72 | 1.2288 | 1.5 | (3,0,0) |
| 77.96 | 1.2255 | 10.6 | (2,0,4) |
| 79.06 | 1.2113 | 3.2 | (2,2,2) |
| 82.80 | 1.1657 | 9.9 | (3,1,0) |
| 83.04 | 1.1629 | 11.2 | (2,1,4) |
Energy Properties
Formation Energy/atom
-2.39077
eV/atom
Energy/atom
-16.76743
eV/atom
Energy above Hull
0.3935
eV/atom
Uncorrected Energy
-16.7674
eV/atom
Volume/atom
9.91
ų
c/a Ratio
1.7804
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.303
Family
O-rich Multi-Component
Matrix Element
O · 0.556
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-972507
Reference Citation
The crystal structure and related material properties of Yb2Co2O5 were obtained from the Materials Project database (MP-ID: mp-972507, 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_Yb2Co2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68628517
_cell_length_b 3.68628517
_cell_length_c 6.56307264
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb2Co2O5
_chemical_formula_sum 'Yb2 Co2 O5'
_cell_volume 89.18361428
_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
Yb Yb0 1 0.50000000 0.50000000 0.00000000 1.0
Yb Yb1 1 0.50000000 0.50000000 0.50000000 1.0
Co Co2 1 0.00000000 0.00000000 0.19236732 1.0
Co Co3 1 0.00000000 0.00000000 0.80763268 1.0
O O4 1 0.00000000 0.50000000 0.22566882 1.0
O O5 1 0.00000000 0.50000000 0.77433118 1.0
O O6 1 0.50000000 0.00000000 0.22566882 1.0
O O7 1 0.50000000 0.00000000 0.77433118 1.0
O O8 1 0.00000000 0.00000000 0.50000000 1.0
