YMg7(B6Os)4

High-Entropy Materials HEA

MP-ID: mp-3292302 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

YMg7(B6Os)4

MP-ID

mp-3292302

Elements

Sites

Density

6.1871

g/cm³

Volume

343.38

Å³

Cell a

8.8699

Cell b

11.0709

Cell c

3.4968

α Angle

90.00

β Angle

90.00

γ Angle

90.12

Space Group

Point Group

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
7.99	11.0709	5.4	(0,1,0)
9.97	8.8699	5.3	(1,0,0)
12.78	6.9293	22.5	(1,-1,0)
12.80	6.9151	36.5	(1,1,0)
16.01	5.5354	82.5	(0,2,0)
18.88	4.7004	44.6	(1,-2,0)
18.92	4.6916	41.0	(1,2,0)
20.02	4.4350	9.0	(2,0,0)
21.57	4.1199	63.6	(2,-1,0)
21.60	4.1139	82.5	(2,1,0)
24.12	3.6903	2.2	(0,3,0)
25.47	3.4968	100.0	(0,0,1)
25.77	3.4576	2.8	(2,2,0)
26.13	3.4097	33.6	(1,-3,0)
26.17	3.4046	13.9	(1,3,0)
27.42	3.2531	1.1	(1,0,1)
28.59	3.1218	7.5	(1,-1,1)
28.61	3.1205	12.1	(1,1,1)
30.23	2.9563	32.1	(0,2,1)
31.30	2.8580	15.6	(3,-1,0)
31.33	2.8550	17.3	(3,1,0)
31.51	2.8396	9.9	(2,-3,0)
31.57	2.8338	9.6	(2,3,0)
31.90	2.8056	20.9	(1,-2,1)

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Energy Properties

Formation Energy/atom

-0.32885

eV/atom

Energy/atom

-12.48863

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.4886

eV/atom

Volume/atom

9.54

Å³

c/a Ratio

0.3942

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0020

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.667

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9324

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7521

J/mol·K

Ω Parameter

0.6879

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

27.843%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3218

smaller = more stable mixing

VEC

3.361

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-24.374

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6726

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiha

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292302

Reference Citation

The crystal structure and related material properties of YMg7(B6Os)4 were obtained from the Materials Project database (MP-ID: mp-3292302, 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_YMg7(B6Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86993231
_cell_length_b   11.07089056
_cell_length_c   3.49681910
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.12045760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg7(B6Os)4
_chemical_formula_sum   'Y1 Mg7 B24 Os4'
_cell_volume   343.38005707
_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
  Y  Y0  1  0.32236474  0.08550332  0.00000000  1.0
  Mg  Mg1  1  0.94607093  0.13011685  0.00000000  1.0
  Mg  Mg2  1  0.44674170  0.37284308  0.00000000  1.0
  Mg  Mg3  1  0.82993835  0.41424236  0.00000000  1.0
  Mg  Mg4  1  0.16816129  0.58819412  0.00000000  1.0
  Mg  Mg5  1  0.55691151  0.62665699  0.00000000  1.0
  Mg  Mg6  1  0.05548016  0.86976866  0.00000000  1.0
  Mg  Mg7  1  0.66935697  0.91127275  0.00000000  1.0
  B  B8  1  0.09192489  0.02511676  0.50000000  1.0
  B  B9  1  0.55589170  0.06479455  0.50000000  1.0
  B  B10  1  0.75768010  0.07930566  0.50000000  1.0
  B  B11  1  0.12885414  0.18455333  0.50000000  1.0
  B  B12  1  0.48316386  0.21406292  0.50000000  1.0
  B  B13  1  0.79736127  0.23958783  0.50000000  1.0
  B  B14  1  0.29600977  0.26484457  0.50000000  1.0
  B  B15  1  0.98053391  0.28972796  0.50000000  1.0
  B  B16  1  0.63243157  0.31981749  0.50000000  1.0
  B  B17  1  0.25632357  0.42328990  0.50000000  1.0
  B  B18  1  0.05379133  0.43699758  0.50000000  1.0
  B  B19  1  0.59313052  0.47527139  0.50000000  1.0
  B  B20  1  0.40868805  0.52495082  0.50000000  1.0
  B  B21  1  0.94383710  0.56516356  0.50000000  1.0
  B  B22  1  0.74386026  0.57975740  0.50000000  1.0
  B  B23  1  0.36895656  0.67863814  0.50000000  1.0
  B  B24  1  0.01915512  0.71069055  0.50000000  1.0
  B  B25  1  0.70309342  0.73831496  0.50000000  1.0
  B  B26  1  0.20220728  0.75950025  0.50000000  1.0
  B  B27  1  0.52058400  0.78685782  0.50000000  1.0
  B  B28  1  0.86883453  0.81977897  0.50000000  1.0
  B  B29  1  0.24373332  0.91523940  0.50000000  1.0
  B  B30  1  0.44431442  0.93156338  0.50000000  1.0
  B  B31  1  0.90771520  0.97467427  0.50000000  1.0
  Os  Os32  1  0.64390840  0.17925126  0.00000000  1.0
  Os  Os33  1  0.14307890  0.32483411  0.00000000  1.0
  Os  Os34  1  0.85735897  0.68143989  0.00000000  1.0
  Os  Os35  1  0.35855114  0.81337616  0.00000000  1.0

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