RbCr5Te8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-975531 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

RbCr5Te8

MP-ID

mp-975531

Elements

Sites

Density

5.8126

g/cm³

Volume

390.31

Å³

Cell a

10.5015

Cell b

10.5015

Cell c

9.7432

α Angle

75.57

β Angle

75.57

γ Angle

22.06

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
8.87	9.9698	11.4	(1,1,0)
9.38	9.4240	21.3	(0,0,1)
11.16	7.9265	12.7	(1,1,1)
17.89	4.9572	3.2	(2,2,1)
18.83	4.7120	2.0	(0,0,2)
22.19	4.0061	1.7	(2,2,-1)
24.05	3.7009	1.8	(1,0,1)
25.91	3.4386	5.7	(2,1,0)
26.07	3.4181	4.9	(3,3,1)
26.40	3.3762	3.7	(2,1,1)
26.83	3.3233	2.5	(3,3,0)
28.41	3.1413	36.0	(0,0,3)
28.67	3.1135	45.0	(3,3,2)
28.78	3.1017	100.0	(2,1,-1)
28.80	3.0995	1.2	(1,0,2)
29.20	3.0585	1.2	(2,2,-2)
30.09	2.9695	75.6	(2,1,2)
30.71	2.9109	32.5	(3,3,-1)
33.88	2.6459	1.6	(3,2,2)
33.93	2.6422	12.1	(3,3,3)
34.24	2.6187	20.1	(2,1,-2)
36.03	2.4925	1.2	(4,4,0)
36.11	2.4876	21.9	(2,1,3)
36.84	2.4397	12.8	(3,3,-2)

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Energy Properties

Formation Energy/atom

-0.56253

eV/atom

Energy/atom

-5.87626

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.4800

eV/atom

Volume/atom

27.88

Å³

c/a Ratio

0.9278

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.9987

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.038430

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

0.8760

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.2831

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.431%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3527

smaller = more stable mixing

VEC

4.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7974

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.575

Family

Te-rich Multi-Component

Matrix Element

Te · 0.571

Related Tasks

Related computation task IDs (5)

aaadnhnk aaadqzur aaaetbdn aaafbrnj aaafzzzv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-975531

Reference Citation

The crystal structure and related material properties of RbCr5Te8 were obtained from the Materials Project database (MP-ID: mp-975531, 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_RbCr5Te8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50151202
_cell_length_b   10.50151202
_cell_length_c   9.74319742
_cell_angle_alpha   75.57037379
_cell_angle_beta   75.57037379
_cell_angle_gamma   22.05832509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbCr5Te8
_chemical_formula_sum   'Rb1 Cr5 Te8'
_cell_volume   390.30629779
_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
  Rb  Rb0  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Cr  Cr2  1  0.34066707  0.34066707  0.98220455  1.0
  Cr  Cr3  1  0.29603104  0.29603104  0.33116902  1.0
  Cr  Cr4  1  0.70396896  0.70396896  0.66883098  1.0
  Cr  Cr5  1  0.65933293  0.65933293  0.01779545  1.0
  Te  Te6  1  0.42592376  0.42592376  0.15572958  1.0
  Te  Te7  1  0.91285381  0.91285381  0.82846400  1.0
  Te  Te8  1  0.82861721  0.82861721  0.49124312  1.0
  Te  Te9  1  0.76125961  0.76125961  0.15686367  1.0
  Te  Te10  1  0.23874039  0.23874039  0.84313633  1.0
  Te  Te11  1  0.17138279  0.17138279  0.50875688  1.0
  Te  Te12  1  0.08714619  0.08714619  0.17153600  1.0
  Te  Te13  1  0.57407624  0.57407624  0.84427042  1.0

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