Yb7Y(Ge4Mo3)4

高熵材料 HEA

MP-ID: mp-3293208 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Yb7Y(Ge4Mo3)4

MP-ID

mp-3293208

Elements

Sites

Density

9.6116

g/cm³

Volume

624.32

Å³

Cell a

6.7918

Cell b

6.9962

Cell c

13.1389

α Angle

90.04

β Angle

90.05

γ Angle

90.06

Space Group

Point Group

Crystal System

Triclinic

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
6.73	13.1389	9.5	(0,0,1)
12.65	6.9962	2.4	(0,1,0)
13.04	6.7918	2.1	(1,0,0)
13.48	6.5695	1.7	(0,0,2)
14.34	6.1770	3.8	(0,1,-1)
14.68	6.0356	1.6	(1,0,-1)
14.69	6.0312	1.6	(1,0,1)
18.19	4.8758	1.0	(1,-1,0)
18.21	4.8706	1.0	(1,1,0)
19.42	4.5715	1.1	(1,-1,-1)
22.71	3.9149	2.2	(1,-1,2)
22.72	3.9146	2.5	(1,1,-2)
23.96	3.7133	25.3	(0,1,-3)
23.98	3.7112	26.2	(0,1,3)
25.46	3.4981	4.2	(0,2,0)
26.24	3.3959	15.1	(2,0,0)
27.15	3.2847	8.1	(0,0,4)
28.92	3.0868	3.4	(0,2,2)
29.22	3.0563	3.0	(2,-1,0)
29.25	3.0537	5.1	(2,1,0)
29.50	3.0276	12.1	(1,-2,1)
29.51	3.0274	15.3	(1,-2,-1)
29.52	3.0256	11.6	(1,2,-1)
29.54	3.0243	15.5	(1,2,1)

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Energy Properties

Formation Energy/atom

-0.57315

eV/atom

Energy/atom

-23.09634

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.0963

eV/atom

Volume/atom

17.34

Å³

c/a Ratio

1.9345

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0293

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1446

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5161

J/mol·K

Ω Parameter

4.1274

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.872%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4046

smaller = more stable mixing

VEC

6.583

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.074

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8256

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjpw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293208

Reference Citation

The crystal structure and related material properties of Yb7Y(Ge4Mo3)4 were obtained from the Materials Project database (MP-ID: mp-3293208, 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_Yb7Y(Ge4Mo3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79179880
_cell_length_b   6.99619320
_cell_length_c   13.13894023
_cell_angle_alpha   90.03704609
_cell_angle_beta   90.05107017
_cell_angle_gamma   90.06197286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb7Y(Ge4Mo3)4
_chemical_formula_sum   'Yb7 Y1 Ge16 Mo12'
_cell_volume   624.31881757
_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  0.49413790  0.67147471  0.59014745  1.0
  Yb  Yb1  1  0.99330300  0.82809657  0.90986862  1.0
  Yb  Yb2  1  0.50568476  0.32805614  0.09043122  1.0
  Yb  Yb3  1  0.00601284  0.17364578  0.40735565  1.0
  Yb  Yb4  1  0.50629100  0.32755525  0.40825266  1.0
  Yb  Yb5  1  0.00591105  0.17272095  0.09040188  1.0
  Yb  Yb6  1  0.49406344  0.67110156  0.91115259  1.0
  Y  Y7  1  0.99449436  0.82604938  0.59212400  1.0
  Ge  Ge8  1  0.67042425  0.95615488  0.45396137  1.0
  Ge  Ge9  1  0.16991737  0.54504050  0.04531091  1.0
  Ge  Ge10  1  0.32972658  0.04464838  0.95519371  1.0
  Ge  Ge11  1  0.82856390  0.45133000  0.54388038  1.0
  Ge  Ge12  1  0.33102194  0.04712331  0.54414010  1.0
  Ge  Ge13  1  0.83009395  0.45505987  0.95501771  1.0
  Ge  Ge14  1  0.67012748  0.95561431  0.04515104  1.0
  Ge  Ge15  1  0.17202886  0.54274295  0.45438373  1.0
  Ge  Ge16  1  0.46764050  0.38006499  0.74971242  1.0
  Ge  Ge17  1  0.96569664  0.12142409  0.75164092  1.0
  Ge  Ge18  1  0.53331653  0.61906457  0.24986834  1.0
  Ge  Ge19  1  0.03300382  0.88237723  0.24931142  1.0
  Ge  Ge20  1  0.68820571  0.85547370  0.75209621  1.0
  Ge  Ge21  1  0.19528152  0.64202095  0.75284863  1.0
  Ge  Ge22  1  0.30780771  0.14382939  0.24943797  1.0
  Ge  Ge23  1  0.80706241  0.35716450  0.24920604  1.0
  Mo  Mo24  1  0.66220875  0.16160232  0.62893029  1.0
  Mo  Mo25  1  0.16170279  0.33646409  0.87096147  1.0
  Mo  Mo26  1  0.33903990  0.83640496  0.12927361  1.0
  Mo  Mo27  1  0.84070177  0.66440354  0.37114238  1.0
  Mo  Mo28  1  0.33861917  0.83626256  0.37064903  1.0
  Mo  Mo29  1  0.83910287  0.66424328  0.12917578  1.0
  Mo  Mo30  1  0.66044862  0.16402937  0.87112298  1.0
  Mo  Mo31  1  0.16056050  0.33661528  0.62894972  1.0
  Mo  Mo32  1  0.83870843  0.48520954  0.74922027  1.0
  Mo  Mo33  1  0.33749034  0.01576172  0.74972333  1.0
  Mo  Mo34  1  0.16065656  0.51723080  0.25007651  1.0
  Mo  Mo35  1  0.66093976  0.98393957  0.24987869  1.0

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