Dy7Tm3(Bi2Rh)2

High-Entropy Materials HEA

MP-ID: mp-3292149 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Dy7Tm3(Bi2Rh)2

MP-ID

mp-3292149

Elements

Sites

Density

10.0939

g/cm³

Volume

883.76

Å³

Cell a

8.0219

Cell b

8.8524

Cell c

12.4451

α Angle

89.93

β Angle

90.08

γ Angle

90.10

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

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
14.89	5.9495	1.3	(1,-1,0)
18.03	4.9199	1.8	(1,0,-2)
18.05	4.9136	2.1	(1,0,2)
20.06	4.4262	4.9	(0,2,0)
22.16	4.0109	17.1	(2,0,0)
23.29	3.8190	2.6	(2,0,-1)
23.31	3.8161	2.4	(2,0,1)
24.02	3.7045	1.2	(1,-2,-1)
24.05	3.7008	1.3	(1,-2,1)
24.06	3.6982	1.2	(1,2,1)
24.07	3.6972	1.1	(1,2,-1)
24.14	3.6868	11.5	(1,0,-3)
24.17	3.6828	11.6	(1,0,3)
25.38	3.5092	2.0	(2,-1,-1)
25.40	3.5060	2.0	(2,-1,1)
25.42	3.5040	2.2	(2,1,-1)
25.43	3.5027	2.3	(2,1,1)
27.07	3.2939	8.7	(1,-2,-2)
27.11	3.2888	8.5	(1,-2,2)
27.12	3.2885	8.6	(1,2,2)
27.13	3.2872	8.8	(1,2,-2)
28.29	3.1544	2.0	(2,-1,-2)
28.33	3.1499	1.8	(2,1,-2)
28.34	3.1497	1.7	(2,-1,2)

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Energy Properties

Formation Energy/atom

-0.84240

eV/atom

Energy/atom

-39.06223

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.0622

eV/atom

Volume/atom

27.62

Å³

c/a Ratio

1.5514

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.4225

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003870

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.438

Element Family

Lanthanide

Solute Fraction

0.563

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2820

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6589

J/mol·K

Ω Parameter

6.1417

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4316

smaller = more stable mixing

VEC

9.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.589

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9248

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfibd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292149

Reference Citation

The crystal structure and related material properties of Dy7Tm3(Bi2Rh)2 were obtained from the Materials Project database (MP-ID: mp-3292149, 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_Dy7Tm3(Bi2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02189620
_cell_length_b   8.85238853
_cell_length_c   12.44506603
_cell_angle_alpha   89.92829505
_cell_angle_beta   90.07538453
_cell_angle_gamma   90.09991465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Tm3(Bi2Rh)2
_chemical_formula_sum   'Dy14 Tm6 Bi8 Rh4'
_cell_volume   883.75795302
_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
  Dy  Dy0  1  0.84047208  0.75083903  0.79438491  1.0
  Dy  Dy1  1  0.15952792  0.24916097  0.20561509  1.0
  Dy  Dy2  1  0.34118996  0.25025947  0.70483932  1.0
  Dy  Dy3  1  0.65881004  0.74974053  0.29516068  1.0
  Dy  Dy4  1  0.37510562  0.74924229  0.68984282  1.0
  Dy  Dy5  1  0.62489438  0.25075771  0.31015718  1.0
  Dy  Dy6  1  0.87500198  0.24790215  0.80934363  1.0
  Dy  Dy7  1  0.12499802  0.75209785  0.19065637  1.0
  Dy  Dy8  1  0.94741486  0.74996493  0.50184514  1.0
  Dy  Dy9  1  0.05258514  0.25003507  0.49815486  1.0
  Dy  Dy10  1  0.44791217  0.24800388  0.99846338  1.0
  Dy  Dy11  1  0.55208783  0.75199612  0.00153662  1.0
  Dy  Dy12  1  0.82356676  0.45904853  0.06642099  1.0
  Dy  Dy13  1  0.17643324  0.54095147  0.93357901  1.0
  Tm  Tm14  1  0.67301791  0.04201395  0.56626930  1.0
  Tm  Tm15  1  0.32698209  0.95798605  0.43373070  1.0
  Tm  Tm16  1  0.17267997  0.95740014  0.93312227  1.0
  Tm  Tm17  1  0.32667140  0.54214719  0.43385618  1.0
  Tm  Tm18  1  0.82732003  0.04259986  0.06687773  1.0
  Tm  Tm19  1  0.67332860  0.45785281  0.56614382  1.0
  Bi  Bi20  1  0.56673773  0.49112570  0.82735037  1.0
  Bi  Bi21  1  0.43326227  0.50887430  0.17264963  1.0
  Bi  Bi22  1  0.06379633  0.50786142  0.67277958  1.0
  Bi  Bi23  1  0.43618427  0.99181570  0.17367979  1.0
  Bi  Bi24  1  0.93620367  0.49213858  0.32722042  1.0
  Bi  Bi25  1  0.56381573  0.00818430  0.82632021  1.0
  Bi  Bi26  1  0.93483822  0.00851242  0.32763789  1.0
  Bi  Bi27  1  0.06516178  0.99148758  0.67236211  1.0
  Rh  Rh28  1  0.57027509  0.74986418  0.50925843  1.0
  Rh  Rh29  1  0.42972491  0.25013582  0.49074157  1.0
  Rh  Rh30  1  0.07065765  0.24745775  0.99079859  1.0
  Rh  Rh31  1  0.92934235  0.75254225  0.00920141  1.0

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