Co(RhSe2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078249 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Co(RhSe2)2

MP-ID

mp-1078249

Elements

Sites

Density

7.6478

g/cm³

Volume

126.06

Å³

Cell a

6.3796

Cell b

6.3796

Cell c

6.4299

α Angle

60.94

β Angle

60.94

γ Angle

34.00

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
16.00	5.5390	1.5	(0,0,1)
16.32	5.4307	8.3	(1,1,1)
16.87	5.2554	27.7	(1,1,0)
25.33	3.5156	3.2	(1,0,0)
27.65	3.2265	10.3	(1,0,1)
27.76	3.2142	6.5	(1,1,2)
28.75	3.1054	2.8	(1,1,-1)
29.30	3.0481	3.3	(2,2,1)
32.33	2.7695	5.7	(0,0,2)
32.40	2.7634	100.0	(1,0,-1)
32.73	2.7361	7.9	(2,1,1)
32.99	2.7153	51.9	(2,2,2)
35.14	2.5539	8.9	(2,1,0)
38.07	2.3635	2.7	(2,1,2)
43.28	2.0905	1.1	(2,2,3)
44.02	2.0569	19.6	(1,1,-2)
44.21	2.0487	38.6	(2,1,-1)
44.72	2.0265	46.4	(3,2,1)
44.98	2.0155	6.7	(1,0,-2)
45.04	2.0126	18.5	(3,3,2)
48.83	1.8652	31.2	(1,-1,0)
49.03	1.8581	58.5	(2,1,3)
49.36	1.8463	4.6	(0,0,3)
51.88	1.7625	2.8	(1,0,3)

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Energy Properties

Formation Energy/atom

-0.39975

eV/atom

Energy/atom

-17.36446

eV/atom

Energy above Hull

0.0535

eV/atom

Uncorrected Energy

-5.4364

eV/atom

Volume/atom

18.01

Å³

c/a Ratio

1.0079

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.4784

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011730

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Se · 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

4.1494

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.886%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2347

smaller = more stable mixing

VEC

6.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.248

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.527

Family

Se-rich Multi-Component

Matrix Element

Se · 0.571

Related Tasks

Related computation task IDs (5)

aaaddoul aaadmmva aaaeunwe aaaezsbd aaafscqk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078249

Reference Citation

The crystal structure and related material properties of Co(RhSe2)2 were obtained from the Materials Project database (MP-ID: mp-1078249, 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_Co(RhSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37955064
_cell_length_b   6.37955064
_cell_length_c   6.42991851
_cell_angle_alpha   60.94337471
_cell_angle_beta   60.94337471
_cell_angle_gamma   34.00046779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co(RhSe2)2
_chemical_formula_sum   'Co1 Rh2 Se4'
_cell_volume   126.05953675
_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
  Co  Co0  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh1  1  0.26257800  0.26257800  0.72008400  1.0
  Rh  Rh2  1  0.73742200  0.73742200  0.27991600  1.0
  Se  Se3  1  0.37114900  0.37114900  0.97330700  1.0
  Se  Se4  1  0.62885100  0.62885100  0.02669300  1.0
  Se  Se5  1  0.11678600  0.11678600  0.55438800  1.0
  Se  Se6  1  0.88321400  0.88321400  0.44561200  1.0

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