Sc4CrOs7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294815 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Sc4CrOs7

MP-ID

mp-3294815

Elements

Sites

Density

13.2326

g/cm³

Volume

196.19

Å³

Cell a

5.2618

Cell b

5.0793

Cell c

8.5819

α Angle

90.00

β Angle

90.00

γ Angle

121.20

Space Group

Amm2

Point Group

mm2

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
10.31	8.5819	11.1	(0,0,1)
19.72	4.5009	51.5	(1,0,0)
20.44	4.3448	40.5	(0,1,0)
20.70	4.2909	40.9	(0,0,2)
22.30	3.9860	19.2	(1,0,1)
22.94	3.8763	43.7	(0,1,1)
28.75	3.1057	22.6	(1,0,2)
29.25	3.0530	5.4	(0,1,2)
31.27	2.8606	1.6	(0,0,3)
35.37	2.5375	9.6	(1,1,0)
35.70	2.5153	1.2	(2,-1,1)
36.94	2.4333	3.5	(1,1,1)
37.24	2.4143	24.2	(1,0,3)
37.65	2.3893	28.6	(0,1,3)
40.07	2.2505	2.4	(2,0,0)
40.21	2.2429	62.4	(2,-1,2)
41.34	2.1842	60.9	(1,1,2)
41.48	2.1769	100.0	(2,0,1)
41.57	2.1724	3.5	(0,2,0)
42.12	2.1455	50.2	(0,0,4)
42.95	2.1060	40.8	(0,2,1)
45.51	1.9930	55.6	(2,0,2)
46.88	1.9382	29.4	(0,2,2)
46.91	1.9367	17.3	(1,0,4)

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Energy Properties

Formation Energy/atom

-0.40507

eV/atom

Energy/atom

-36.36873

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.3687

eV/atom

Volume/atom

16.35

Å³

c/a Ratio

1.6310

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.7029

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.003580

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.583

Element Family

5d-TM

Solute Fraction

0.417

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8877

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3803

J/mol·K

Ω Parameter

0.5121

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.257%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3923

smaller = more stable mixing

VEC

6.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-39.129

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8080

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.589

Family

Os-rich Multi-Component

Matrix Element

Os · 0.583

Related Tasks

Related computation task IDs (1)

aaahflzr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294815

Reference Citation

The crystal structure and related material properties of Sc4CrOs7 were obtained from the Materials Project database (MP-ID: mp-3294815, 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

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Raw CIF Data

# generated using pymatgen
data_Sc4CrOs7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26176236
_cell_length_b   5.07925870
_cell_length_c   8.58186018
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.19588529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4CrOs7
_chemical_formula_sum   'Sc4 Cr1 Os7'
_cell_volume   196.19276353
_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
  Sc  Sc0  1  0.33221708  0.66443416  0.43542755  1.0
  Sc  Sc1  1  0.66915997  0.33831894  0.56697983  1.0
  Sc  Sc2  1  0.66915997  0.33831894  0.93302017  1.0
  Sc  Sc3  1  0.33221708  0.66443416  0.06457245  1.0
  Cr  Cr4  1  0.16825274  0.33650447  0.75000000  1.0
  Os  Os5  1  0.17043438  0.81691049  0.75000000  1.0
  Os  Os6  1  0.34159395  0.16829984  0.25000000  1.0
  Os  Os7  1  0.82648415  0.65297031  0.25000000  1.0
  Os  Os8  1  0.64647710  0.81691049  0.75000000  1.0
  Os  Os9  1  0.00864984  0.01729969  0.99602489  1.0
  Os  Os10  1  0.82670389  0.16829984  0.25000000  1.0
  Os  Os11  1  0.00864984  0.01729969  0.50397511  1.0

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