Yb7In(GeN)2

高熵材料 HEA

MP-ID: mp-3250880 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Yb7In(GeN)2

MP-ID

mp-3250880

Elements

Sites

Density

9.7202

g/cm³

Volume

256.15

Å³

Cell a

11.8698

Cell b

11.8698

Cell c

4.7127

α Angle

90.00

β Angle

90.00

γ Angle

157.31

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

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
7.60	11.6378	1.6	(1,-1,0)
18.83	4.7127	3.7	(0,0,1)
19.38	4.5790	3.2	(1,0,0)
22.93	3.8793	2.6	(3,-3,0)
27.04	3.2970	2.1	(3,-2,0)
27.15	3.2841	1.7	(1,0,1)
29.83	2.9951	1.6	(3,-3,1)
33.16	2.7015	100.0	(3,-2,1)
38.19	2.3564	18.9	(0,0,2)
38.55	2.3352	18.4	(1,1,0)
38.68	2.3276	16.4	(5,-5,0)
43.36	2.0869	1.2	(5,-5,1)
47.42	1.9171	1.0	(3,-2,2)
51.21	1.7840	1.6	(6,-5,1)
55.39	1.6587	12.8	(1,1,2)
55.49	1.6559	11.5	(5,-5,2)
55.76	1.6485	5.7	(4,-6,0)
55.76	1.6485	5.7	(6,-4,0)
65.86	1.4182	14.0	(3,-2,3)
66.35	1.4089	6.8	(1,-4,1)
66.35	1.4089	6.8	(4,-1,1)
66.53	1.4055	5.5	(7,-8,1)
66.53	1.4055	5.5	(8,-7,1)
69.60	1.3508	5.8	(4,-6,2)

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Energy Properties

Formation Energy/atom

-0.94846

eV/atom

Energy/atom

-27.97227

eV/atom

Energy above Hull

0.0748

eV/atom

Uncorrected Energy

-27.9723

eV/atom

Volume/atom

21.35

Å³

c/a Ratio

0.3970

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0014

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.583

Element Family

Lanthanide

Solute Fraction

0.417

Interstitial Fraction

0.167

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1187

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.3012

J/mol·K

Ω Parameter

1.2316

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

25.322%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7219

smaller = more stable mixing

VEC

9.917

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.708

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8070

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcyzw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250880

Reference Citation

The crystal structure and related material properties of Yb7In(GeN)2 were obtained from the Materials Project database (MP-ID: mp-3250880, 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…

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Raw CIF Data

# generated using pymatgen
data_Yb7In(GeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86979156
_cell_length_b   11.86979169
_cell_length_c   4.71272003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   157.30828560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7In(GeN)2
_chemical_formula_sum   'Yb7 In1 Ge2 N2'
_cell_volume   256.14698034
_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  0.00069186  0.99930814  0.00000000  1.0
  Yb  Yb1  1  0.80002498  0.19997302  0.00000000  1.0
  Yb  Yb2  1  0.59715404  0.40284396  0.00000000  1.0
  Yb  Yb3  1  0.40557718  0.59442082  0.00000000  1.0
  Yb  Yb4  1  0.19705826  0.80293974  0.00000000  1.0
  Yb  Yb5  1  0.90785605  0.09214295  0.49999900  1.0
  Yb  Yb6  1  0.09536599  0.90463301  0.49999900  1.0
  In  In7  1  0.28979987  0.71019913  0.49999900  1.0
  Ge  Ge8  1  0.70754800  0.29245100  0.49999900  1.0
  Ge  Ge9  1  0.50037736  0.49962064  0.49999900  1.0
  N  N10  1  0.89561251  0.10438649  0.00000000  1.0
  N  N11  1  0.10292590  0.89707310  0.00000000  1.0

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