Basic Information
Formula
Er2Ga8Co
MP-ID
mp-985468
Elements
3
Sites
11
Density
8.2812
g/cm³
Volume
190.74
ų
Cell a
4.1704
Å
Cell b
4.1704
Å
Cell c
10.9669
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 |
|---|---|---|---|
| 8.06 | 10.9669 | 2.0 | (0,0,1) |
| 16.16 | 5.4834 | 10.5 | (0,0,2) |
| 21.31 | 4.1704 | 23.1 | (0,1,0) |
| 21.31 | 4.1704 | 23.1 | (1,0,0) |
| 24.35 | 3.6556 | 7.0 | (0,0,3) |
| 26.86 | 3.3195 | 4.9 | (1,0,2) |
| 30.31 | 2.9490 | 1.5 | (1,-1,0) |
| 30.31 | 2.9489 | 1.5 | (1,1,0) |
| 31.41 | 2.8478 | 8.7 | (1,-1,1) |
| 31.41 | 2.8478 | 8.7 | (1,1,1) |
| 32.57 | 2.7490 | 6.5 | (0,1,3) |
| 32.57 | 2.7490 | 19.6 | (1,0,3) |
| 34.53 | 2.5972 | 53.2 | (1,-1,2) |
| 34.53 | 2.5972 | 53.2 | (1,1,2) |
| 39.25 | 2.2952 | 50.0 | (1,-1,-3) |
| 39.25 | 2.2952 | 50.0 | (1,-1,3) |
| 39.25 | 2.2952 | 100.0 | (1,1,3) |
| 39.33 | 2.2910 | 2.6 | (1,0,4) |
| 41.16 | 2.1934 | 46.2 | (0,0,5) |
| 43.40 | 2.0852 | 57.5 | (0,2,0) |
| 43.40 | 2.0852 | 57.5 | (2,0,0) |
| 45.16 | 2.0080 | 8.6 | (1,-1,4) |
| 45.16 | 2.0080 | 4.3 | (1,1,4) |
| 45.16 | 2.0080 | 4.3 | (1,1,-4) |
Energy Properties
Formation Energy/atom
-0.47677
eV/atom
Energy/atom
-4.15801
eV/atom
Energy above Hull
0.0169
eV/atom
Uncorrected Energy
-16.1833
eV/atom
Volume/atom
17.34
ų
c/a Ratio
2.6297
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
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
Ga · 0.727
Element Family
PostTransition-Noble
Solute Fraction
0.273
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7595
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3149
J/mol·K
Ω Parameter
12.3244
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.396%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2237
smaller = more stable mixing
VEC
5.182
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.363
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6914
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-985468
Reference Citation
The crystal structure and related material properties of Er2Ga8Co were obtained from the Materials Project database (MP-ID: mp-985468, 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_Er2Ga8Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17043652
_cell_length_b 4.17043754
_cell_length_c 10.96686556
_cell_angle_alpha 89.99999472
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00040460
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga8Co
_chemical_formula_sum 'Er2 Ga8 Co1'
_cell_volume 190.74170299
_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
Er Er0 1 0.99999900 0.00000100 0.30573779 1.0
Er Er1 1 -0.00000000 -0.00000000 0.69426221 1.0
Ga Ga2 1 0.50000000 -0.00000000 0.11591624 1.0
Ga Ga3 1 -0.00000000 0.50000000 0.11591624 1.0
Ga Ga4 1 0.50000000 0.50000000 0.30499109 1.0
Ga Ga5 1 0.50000000 -0.00000000 0.50000000 1.0
Ga Ga6 1 0.00000100 0.50000000 0.50000000 1.0
Ga Ga7 1 0.50000000 0.50000000 0.69500991 1.0
Ga Ga8 1 0.50000100 0.00000000 0.88408376 1.0
Ga Ga9 1 0.00000000 0.50000000 0.88408376 1.0
Co Co10 1 0.00000100 0.00000000 -0.00000000 1.0
