Cr(Te2Rh)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1077939 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Cr(Te2Rh)2

MP-ID

mp-1077939

Elements

Sites

Density

7.8730

g/cm³

Volume

162.03

Å³

Cell a

6.8908

Cell b

6.8908

Cell c

7.0702

α Angle

59.72

β Angle

59.72

γ Angle

34.64

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
14.76	6.0033	1.3	(0,0,1)
14.90	5.9451	2.5	(1,1,1)
15.87	5.5856	27.2	(1,1,0)
23.09	3.8513	1.7	(1,0,0)
26.94	3.3094	1.1	(1,1,-1)
29.76	3.0026	100.0	(1,0,-1)
29.76	3.0017	13.7	(0,0,2)
29.90	2.9879	25.5	(2,1,1)
30.06	2.9726	50.0	(2,2,2)
32.05	2.7928	6.5	(2,2,0)
32.47	2.7574	1.4	(2,1,0)
34.50	2.5994	1.3	(2,1,2)
40.97	2.2030	12.4	(1,1,-2)
41.02	2.2004	43.0	(2,1,-1)
41.24	2.1889	26.2	(3,2,1)
41.37	2.1826	1.1	(1,0,-2)
41.42	2.1800	20.3	(3,3,2)
44.15	2.0514	30.5	(1,-1,0)
44.33	2.0435	59.7	(2,1,3)
47.20	1.9256	3.3	(2,0,0)
47.22	1.9249	3.6	(1,0,3)
47.52	1.9133	2.8	(3,2,3)
54.15	1.6937	4.9	(1,-1,2)
54.27	1.6904	8.7	(1,1,4)

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Energy Properties

Formation Energy/atom

-0.30966

eV/atom

Energy/atom

-5.58893

eV/atom

Energy above Hull

0.0982

eV/atom

Uncorrected Energy

-5.5889

eV/atom

Volume/atom

23.15

Å³

c/a Ratio

1.0260

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.7693

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.023260

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

3.0724

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.200%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1918

smaller = more stable mixing

VEC

5.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.526

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.497

Family

Te-rich Multi-Component

Matrix Element

Te · 0.571

Related Tasks

Related computation task IDs (5)

aaadmrem aaadspzd aaadxfvu aaaeukch aaafwwzj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077939

Reference Citation

The crystal structure and related material properties of Cr(Te2Rh)2 were obtained from the Materials Project database (MP-ID: mp-1077939, 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_Cr(Te2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89078736
_cell_length_b   6.89078736
_cell_length_c   7.07022838
_cell_angle_alpha   59.71574338
_cell_angle_beta   59.71574338
_cell_angle_gamma   34.63910424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(Te2Rh)2
_chemical_formula_sum   'Cr1 Te4 Rh2'
_cell_volume   162.02621589
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Te  Te1  1  0.36782300  0.36782300  0.96514900  1.0
  Te  Te2  1  0.63217700  0.63217700  0.03485100  1.0
  Te  Te3  1  0.12947700  0.12947700  0.53400100  1.0
  Te  Te4  1  0.87052300  0.87052300  0.46599900  1.0
  Rh  Rh5  1  0.25329500  0.25329500  0.73731600  1.0
  Rh  Rh6  1  0.74670500  0.74670500  0.26268400  1.0

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