Er5Tm5(Bi2Rh)2

High-Entropy Materials HEA

MP-ID: mp-3293219 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Er5Tm5(Bi2Rh)2

MP-ID

mp-3293219

Elements

Sites

Density

10.4639

g/cm³

Volume

864.14

Å³

Cell a

7.9611

Cell b

8.7999

Cell c

12.3349

α Angle

90.00

β Angle

89.94

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

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
15.01	5.9037	2.2	(1,1,0)
18.19	4.8779	1.5	(1,0,2)
18.20	4.8732	1.5	(1,0,-2)
20.18	4.3999	2.7	(0,2,0)
22.33	3.9806	12.1	(2,0,0)
23.48	3.7893	1.5	(2,0,1)
23.49	3.7871	1.6	(2,0,-1)
24.21	3.6765	1.6	(1,2,1)
24.22	3.6755	1.7	(1,2,-1)
24.36	3.6546	7.8	(1,0,3)
24.38	3.6517	7.8	(1,0,-3)
25.60	3.4803	3.7	(2,1,1)
25.61	3.4786	3.8	(2,1,-1)
27.30	3.2672	13.8	(1,2,2)
27.31	3.2658	13.7	(1,2,-2)
28.54	3.1275	3.1	(2,1,2)
28.56	3.1251	3.0	(2,1,-2)
28.95	3.0837	4.0	(0,0,4)
30.72	2.9102	2.2	(0,1,4)
31.09	2.8765	58.1	(1,0,4)
31.11	2.8746	58.1	(1,0,-4)
31.15	2.8713	100.0	(2,2,1)
31.16	2.8703	99.7	(2,2,-1)
31.26	2.8613	19.7	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.82085

eV/atom

Energy/atom

-40.04048

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.0405

eV/atom

Volume/atom

27.00

Å³

c/a Ratio

1.5494

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.4529

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.313

Element Family

Lanthanide

Solute Fraction

0.688

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3335

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0865

J/mol·K

Ω Parameter

6.6252

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4239

smaller = more stable mixing

VEC

10.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.589

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9619

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjqh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293219

Reference Citation

The crystal structure and related material properties of Er5Tm5(Bi2Rh)2 were obtained from the Materials Project database (MP-ID: mp-3293219, 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_Er5Tm5(Bi2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96111027
_cell_length_b   8.79987574
_cell_length_c   12.33486636
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.94384691
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Tm5(Bi2Rh)2
_chemical_formula_sum   'Er10 Tm10 Bi8 Rh4'
_cell_volume   864.14061739
_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
  Er  Er0  1  0.16160020  0.25000000  0.79369359  1.0
  Er  Er1  1  0.83839980  0.75000000  0.20630641  1.0
  Er  Er2  1  0.12353486  0.75000000  0.81022645  1.0
  Er  Er3  1  0.87646514  0.25000000  0.18977355  1.0
  Er  Er4  1  0.62393534  0.25000000  0.68984075  1.0
  Er  Er5  1  0.37606466  0.75000000  0.31015925  1.0
  Er  Er6  1  0.55429449  0.75000000  0.99853526  1.0
  Er  Er7  1  0.44570551  0.25000000  0.00146474  1.0
  Er  Er8  1  0.05444344  0.25000000  0.50145289  1.0
  Er  Er9  1  0.94555656  0.75000000  0.49854711  1.0
  Tm  Tm10  1  0.66117221  0.75000000  0.70575805  1.0
  Tm  Tm11  1  0.33882779  0.25000000  0.29424195  1.0
  Tm  Tm12  1  0.82635770  0.45753098  0.93334079  1.0
  Tm  Tm13  1  0.17364230  0.54246902  0.06665921  1.0
  Tm  Tm14  1  0.32651781  0.54261725  0.56680457  1.0
  Tm  Tm15  1  0.17364230  0.95753098  0.06665921  1.0
  Tm  Tm16  1  0.67348219  0.45738275  0.43319543  1.0
  Tm  Tm17  1  0.82635770  0.04246902  0.93334079  1.0
  Tm  Tm18  1  0.67348219  0.04261725  0.43319543  1.0
  Tm  Tm19  1  0.32651781  0.95738275  0.56680457  1.0
  Bi  Bi20  1  0.93511974  0.00885699  0.67266875  1.0
  Bi  Bi21  1  0.06488026  0.99114301  0.32733125  1.0
  Bi  Bi22  1  0.43565665  0.99071248  0.82732740  1.0
  Bi  Bi23  1  0.06488026  0.50885699  0.32733125  1.0
  Bi  Bi24  1  0.56434335  0.00928752  0.17267260  1.0
  Bi  Bi25  1  0.93511974  0.49114301  0.67266875  1.0
  Bi  Bi26  1  0.56434335  0.49071248  0.17267260  1.0
  Bi  Bi27  1  0.43565665  0.50928752  0.82732740  1.0
  Rh  Rh28  1  0.92737989  0.75000000  0.99076726  1.0
  Rh  Rh29  1  0.07262011  0.25000000  0.00923274  1.0
  Rh  Rh30  1  0.42744076  0.25000000  0.50913422  1.0
  Rh  Rh31  1  0.57255924  0.75000000  0.49086578  1.0

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