Mn(GaTe2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-653120 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Mn(GaTe2)2

MP-ID

mp-653120

Elements

Sites

Density

5.5880

g/cm³

Volume

837.74

Å³

Cell a

4.2605

Cell b

7.0727

Cell c

27.8009

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

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
12.92	6.8544	1.2	(0,1,1)
14.05	6.3037	1.6	(0,1,2)
15.76	5.6223	3.2	(0,1,3)
17.89	4.9573	4.4	(0,1,4)
19.15	4.6335	5.6	(0,0,6)
20.32	4.3712	4.6	(0,1,5)
21.82	4.0735	6.4	(1,0,2)
24.51	3.6324	5.6	(1,0,4)
25.23	3.5299	1.8	(1,1,2)
25.39	3.5081	25.0	(0,2,1)
25.63	3.4751	19.5	(0,0,8)
25.73	3.4629	1.4	(0,1,7)
26.00	3.4272	4.2	(0,2,2)
26.24	3.3957	66.8	(1,1,3)
26.99	3.3040	4.3	(0,2,3)
27.61	3.2312	100.0	(1,1,4)
28.32	3.1518	27.6	(0,2,4)
28.62	3.1190	28.4	(0,1,8)
29.27	3.0510	2.1	(1,1,5)
29.94	2.9840	3.5	(0,2,5)
31.61	2.8308	13.6	(0,1,9)
33.27	2.6929	11.4	(1,0,8)
33.56	2.6704	12.1	(1,2,2)
33.94	2.6411	12.7	(0,2,7)

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Energy Properties

Formation Energy/atom

-0.45369

eV/atom

Energy/atom

-20.34481

eV/atom

Energy above Hull

0.0083

eV/atom

Uncorrected Energy

-4.2227

eV/atom

Volume/atom

29.92

Å³

c/a Ratio

6.5252

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

19.7872

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.023620

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

24.2034

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.311%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2029

smaller = more stable mixing

VEC

4.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.235

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.557

Family

Te-rich Multi-Component

Matrix Element

Te · 0.571

Related Tasks

Related computation task IDs (3)

aaacbbqd aaaduqcz aaaefgtf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-653120

Reference Citation

The crystal structure and related material properties of Mn(GaTe2)2 were obtained from the Materials Project database (MP-ID: mp-653120, 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_Mn(GaTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26051600
_cell_length_b   7.07272800
_cell_length_c   27.80089800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn(GaTe2)2
_chemical_formula_sum   'Mn4 Ga8 Te16'
_cell_volume   837.73754831
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.25000000  0.35220400  0.30951700  1.0
  Mn  Mn1  1  0.75000000  0.85220400  0.19048300  1.0
  Mn  Mn2  1  0.75000000  0.64779600  0.69048300  1.0
  Mn  Mn3  1  0.25000000  0.14779600  0.80951700  1.0
  Ga  Ga4  1  0.75000000  0.95414900  0.34998100  1.0
  Ga  Ga5  1  0.25000000  0.07401100  0.04700100  1.0
  Ga  Ga6  1  0.25000000  0.45414900  0.15001900  1.0
  Ga  Ga7  1  0.25000000  0.04585100  0.65001900  1.0
  Ga  Ga8  1  0.25000000  0.42598900  0.54700100  1.0
  Ga  Ga9  1  0.75000000  0.57401100  0.45299900  1.0
  Ga  Ga10  1  0.75000000  0.54585100  0.84998100  1.0
  Ga  Ga11  1  0.75000000  0.92598900  0.95299900  1.0
  Te  Te12  1  0.75000000  0.61193600  0.10656000  1.0
  Te  Te13  1  0.25000000  0.42404900  0.64322900  1.0
  Te  Te14  1  0.75000000  0.36426300  0.76640500  1.0
  Te  Te15  1  0.75000000  0.24914600  0.00558900  1.0
  Te  Te16  1  0.75000000  0.57595100  0.35677100  1.0
  Te  Te17  1  0.75000000  0.92404900  0.85677100  1.0
  Te  Te18  1  0.75000000  0.13573700  0.26640500  1.0
  Te  Te19  1  0.25000000  0.11193600  0.39344000  1.0
  Te  Te20  1  0.25000000  0.38806400  0.89344000  1.0
  Te  Te21  1  0.25000000  0.86426300  0.73359500  1.0
  Te  Te22  1  0.25000000  0.74914600  0.49441100  1.0
  Te  Te23  1  0.25000000  0.63573700  0.23359500  1.0
  Te  Te24  1  0.25000000  0.75085400  0.99441100  1.0
  Te  Te25  1  0.25000000  0.07595100  0.14322900  1.0
  Te  Te26  1  0.75000000  0.25085400  0.50558900  1.0
  Te  Te27  1  0.75000000  0.88806400  0.60656000  1.0

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