Basic Information
Formula
YbEuBi4
MP-ID
mp-3251687
Elements
3
Sites
6
Density
10.2690
g/cm³
Volume
187.73
ų
Cell a
9.0196
Å
Cell b
9.0196
Å
Cell c
4.5512
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
149.53
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 19.41 | 4.5732 | 4.8 | (1,0,0) |
| 20.41 | 4.3514 | 2.2 | (2,-2,0) |
| 24.25 | 3.6706 | 6.6 | (2,-1,0) |
| 28.38 | 3.1451 | 9.2 | (2,-2,1) |
| 30.82 | 2.9009 | 39.1 | (3,-3,0) |
| 31.31 | 2.8571 | 100.0 | (2,-1,1) |
| 31.31 | 2.8571 | 100.0 | (1,-2,1) |
| 31.90 | 2.8057 | 4.8 | (3,-2,0) |
| 36.74 | 2.4462 | 7.8 | (3,-3,1) |
| 37.97 | 2.3698 | 32.9 | (1,1,0) |
| 39.60 | 2.2756 | 29.4 | (0,0,2) |
| 40.99 | 2.2019 | 6.9 | (4,-3,0) |
| 44.47 | 2.0373 | 1.3 | (1,0,2) |
| 45.78 | 1.9821 | 1.7 | (4,-3,1) |
| 45.78 | 1.9821 | 1.7 | (3,-4,1) |
| 46.25 | 1.9629 | 5.3 | (4,-4,1) |
| 46.98 | 1.9341 | 2.3 | (2,-1,2) |
| 48.07 | 1.8927 | 2.3 | (3,-1,1) |
| 48.07 | 1.8927 | 2.3 | (1,-3,1) |
| 49.68 | 1.8353 | 10.6 | (4,-2,0) |
| 49.68 | 1.8353 | 10.6 | (2,-4,0) |
| 51.00 | 1.7906 | 2.6 | (5,-4,0) |
| 51.00 | 1.7906 | 2.6 | (4,-5,0) |
| 51.01 | 1.7904 | 19.7 | (3,-3,2) |
Energy Properties
Formation Energy/atom
-0.56920
eV/atom
Energy/atom
-52.07909
eV/atom
Energy above Hull
0.0213
eV/atom
Uncorrected Energy
-52.0791
eV/atom
Volume/atom
31.29
ų
c/a Ratio
0.5046
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.0266
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.037430
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Bi · 0.667
Element Family
PostTransition-Noble
Solute Fraction
0.333
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
5.916%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4111
smaller = more stable mixing
VEC
6.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
1
Phase Tendency
SS
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3251687
Reference Citation
The crystal structure and related material properties of YbEuBi4 were obtained from the Materials Project database (MP-ID: mp-3251687, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_YbEuBi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.01959994
_cell_length_b 9.01959901
_cell_length_c 4.55118138
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.53421360
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbEuBi4
_chemical_formula_sum 'Yb1 Eu1 Bi4'
_cell_volume 187.72709541
_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 0.39895558 0.60104442 0.75000000 1.0
Eu Eu1 1 0.59992312 0.40007688 0.25000000 1.0
Bi Bi2 1 0.93530967 0.06469033 0.25000000 1.0
Bi Bi3 1 0.06127688 0.93872312 0.75000000 1.0
Bi Bi4 1 0.24558176 0.75441824 0.25000000 1.0
Bi Bi5 1 0.75895300 0.24104700 0.75000000 1.0
