Ho2Er(AgGe)3

高熵材料 HEA

MP-ID: mp-3250434 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho2Er(AgGe)3

MP-ID

mp-3250434

Elements

Sites

Density

9.4903

g/cm³

Volume

181.73

Å³

Cell a

7.0879

Cell b

7.0942

Cell c

4.1746

α Angle

90.00

β Angle

90.00

γ Angle

120.03

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
21.28	4.1746	1.3	(0,0,0,1)
25.11	3.5471	2.2	(1,-2,1,0)
25.13	3.5440	4.6	(2,-1,-1,0)
25.80	3.4526	3.9	(1,-1,0,1)
25.81	3.4516	1.8	(1,0,-1,1)
29.08	3.0710	10.0	(2,-2,0,0)
29.10	3.0683	5.0	(2,0,-2,0)
33.14	2.7031	49.8	(1,-2,1,1)
33.16	2.7017	100.0	(2,-1,-1,1)
36.32	2.4737	86.0	(2,-2,0,1)
36.34	2.4723	43.4	(2,0,-2,1)
38.78	2.3220	24.0	(2,-3,1,0)
38.81	2.3206	23.7	(3,-2,-1,0)
38.82	2.3197	23.5	(3,-1,-2,0)
43.35	2.0873	42.1	(0,0,0,2)
44.24	2.0473	18.7	(3,-3,0,0)
44.28	2.0455	9.4	(3,0,-3,0)
44.66	2.0292	5.7	(2,-3,1,1)
44.68	2.0283	5.8	(3,-2,-1,1)
44.69	2.0277	5.5	(3,-1,-2,1)
50.76	1.7985	1.5	(2,-1,-1,2)
51.53	1.7736	1.2	(2,-4,2,0)
51.58	1.7720	1.3	(4,-2,-2,0)
51.58	1.7720	1.3	(2,2,-4,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.71285

eV/atom

Energy/atom

-23.53192

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.5319

eV/atom

Volume/atom

20.19

Å³

c/a Ratio

0.5890

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.333

Element Family

4d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3108

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8979

J/mol·K

Ω Parameter

2.6969

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.924%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3488

smaller = more stable mixing

VEC

8.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.661

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcyis

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250434

Reference Citation

The crystal structure and related material properties of Ho2Er(AgGe)3 were obtained from the Materials Project database (MP-ID: mp-3250434, 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_Ho2Er(AgGe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08792780
_cell_length_b   7.09419749
_cell_length_c   4.17455977
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02926851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Er(AgGe)3
_chemical_formula_sum   'Ho2 Er1 Ag3 Ge3'
_cell_volume   181.73380221
_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
  Ho  Ho0  1  0.58411464  0.00015723  0.00000000  1.0
  Ho  Ho1  1  0.41588536  0.41604259  0.00000000  1.0
  Er  Er2  1  0.00000000  0.58429862  0.00000000  1.0
  Ag  Ag3  1  0.74892661  0.74868549  0.50000000  1.0
  Ag  Ag4  1  0.25107339  0.99975889  0.50000000  1.0
  Ag  Ag5  1  1.00000000  0.25149288  0.50000000  1.0
  Ge  Ge6  1  1.00000000  0.99926194  0.00000000  1.0
  Ge  Ge7  1  0.66750530  0.33390333  0.50000000  1.0
  Ge  Ge8  1  0.33249470  0.66639903  0.50000000  1.0

Get direct link