Rb2MnTe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-8720 · Space group: Ibam (#72)

Materials Project API

Basic Information

Formula

Rb2MnTe2

MP-ID

mp-8720

Elements

Sites

Density

3.9595

g/cm³

Volume

403.50

Å³

Cell a

7.1210

Cell b

7.6850

Cell c

9.0447

α Angle

115.14

β Angle

113.18

γ Angle

90.00

Space Group

Ibam

Point Group

mmm

Crystal System

Orthorhombic

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
12.00	7.3733	24.2	(0,0,1)
12.99	6.8151	40.6	(0,1,-1)
20.84	4.2622	22.5	(1,1,-2)
21.46	4.1409	17.6	(0,1,-2)
23.15	3.8425	43.5	(0,2,-1)
24.14	3.6866	72.8	(0,0,2)
25.01	3.5605	90.6	(2,0,-1)
26.15	3.4075	1.5	(0,2,-2)
27.05	3.2961	100.0	(1,2,-2)
27.83	3.2063	1.3	(2,0,-2)
28.28	3.1558	2.4	(2,1,-2)
29.66	3.0120	60.5	(1,1,-3)
32.13	2.7860	63.6	(1,2,-3)
33.69	2.6602	29.7	(0,2,-3)
33.69	2.6602	29.7	(0,2,1)
34.34	2.6117	70.0	(2,2,-2)
35.04	2.5611	51.0	(2,0,-3)
35.04	2.5611	51.0	(2,0,1)
36.50	2.4618	6.2	(2,2,-3)
39.33	2.2911	2.6	(1,3,-3)
39.33	2.2911	2.6	(1,-3,2)
40.57	2.2239	1.3	(1,-1,3)
40.59	2.2227	19.0	(1,2,-4)
41.46	2.1782	11.7	(2,1,-4)

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Energy Properties

Formation Energy/atom

-0.92538

eV/atom

Energy/atom

-4.40732

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.7794

eV/atom

Volume/atom

40.35

Å³

c/a Ratio

1.2701

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.024780

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rb · 0.400

Element Family

Alkali-AlkEarth

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

27.876%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5736

smaller = more stable mixing

VEC

3.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.415

Family

Rb-rich Multi-Component

Matrix Element

Rb · 0.400

Related Tasks

Related computation task IDs (6)

aaacmxlx aaadnhdp aaadrjts aaaemkmk aaaeuete aaafxafy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8720

Reference Citation

The crystal structure and related material properties of Rb2MnTe2 were obtained from the Materials Project database (MP-ID: mp-8720, 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_Rb2MnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12103337
_cell_length_b   7.68500995
_cell_length_c   9.04471991
_cell_angle_alpha   115.14016462
_cell_angle_beta   113.18224044
_cell_angle_gamma   89.99999430
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2MnTe2
_chemical_formula_sum   'Rb4 Mn2 Te4'
_cell_volume   403.50271760
_cell_formula_units_Z   2
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  0.14396778  0.46839384  0.28793656  1.0
  Rb  Rb1  1  0.64396778  0.81954172  0.28793656  1.0
  Rb  Rb2  1  0.85603222  0.53160616  0.71206344  1.0
  Rb  Rb3  1  0.35603222  0.18045828  0.71206344  1.0
  Mn  Mn4  1  0.75000000  -0.00000000  0.00000000  1.0
  Mn  Mn5  1  0.25000000  -0.00000000  0.00000000  1.0
  Te  Te6  1  0.89554995  0.08700129  0.79109789  1.0
  Te  Te7  1  0.10445005  0.91299871  0.20890211  1.0
  Te  Te8  1  0.60445005  0.29590340  0.20890211  1.0
  Te  Te9  1  0.39554995  0.70409660  0.79109789  1.0

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