Er7Tm3(Bi2Rh)2

High-Entropy Materials HEA

MP-ID: mp-3292098 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Er7Tm3(Bi2Rh)2

MP-ID

mp-3292098

Elements

Sites

Density

10.4202

g/cm³

Volume

866.70

Å³

Cell a

7.9716

Cell b

8.8095

Cell c

12.3416

α Angle

89.98

β Angle

90.03

γ Angle

90.03

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
14.98	5.9124	1.5	(1,-1,0)
14.99	5.9093	1.3	(1,1,0)
18.17	4.8811	2.0	(1,0,-2)
18.19	4.8782	2.1	(1,0,2)
20.16	4.4047	3.6	(0,2,0)
22.30	3.9858	15.9	(2,0,0)
23.45	3.7936	2.1	(2,0,-1)
23.46	3.7922	2.1	(2,0,1)
24.18	3.6813	1.1	(1,-2,-1)
24.18	3.6801	1.1	(1,-2,1)
24.19	3.6792	1.1	(1,2,1)
24.19	3.6792	1.1	(1,2,-1)
24.34	3.6567	10.3	(1,0,-3)
24.35	3.6549	10.3	(1,0,3)
25.56	3.4850	2.4	(2,-1,-1)
25.57	3.4837	2.4	(2,-1,1)
25.57	3.4835	2.5	(2,1,-1)
25.58	3.4827	2.5	(2,1,1)
27.26	3.2711	8.9	(1,-2,-2)
27.28	3.2693	8.8	(1,-2,2)
27.28	3.2691	8.8	(1,2,2)
27.28	3.2691	8.9	(1,2,-2)
28.51	3.1311	2.0	(2,-1,-2)
28.52	3.1298	2.0	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.82101

eV/atom

Energy/atom

-39.89118

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.8912

eV/atom

Volume/atom

27.08

Å³

c/a Ratio

1.5482

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.4744

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 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

6.3614

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4248

smaller = more stable mixing

VEC

10.063

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)

aaahfhze

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292098

Reference Citation

The crystal structure and related material properties of Er7Tm3(Bi2Rh)2 were obtained from the Materials Project database (MP-ID: mp-3292098, 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_Er7Tm3(Bi2Rh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97164129
_cell_length_b   8.80948706
_cell_length_c   12.34154736
_cell_angle_alpha   89.98019461
_cell_angle_beta   90.03481212
_cell_angle_gamma   90.03030297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er7Tm3(Bi2Rh)2
_chemical_formula_sum   'Er14 Tm6 Bi8 Rh4'
_cell_volume   866.69804677
_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  0.66159682  0.74973998  0.70612734  1.0
  Er  Er1  1  0.33840318  0.25026002  0.29387266  1.0
  Er  Er2  1  0.16130155  0.24997058  0.79412672  1.0
  Er  Er3  1  0.83869845  0.75002942  0.20587328  1.0
  Er  Er4  1  0.12347542  0.75012599  0.81036257  1.0
  Er  Er5  1  0.87652458  0.24987401  0.18963743  1.0
  Er  Er6  1  0.62352979  0.25058266  0.68992028  1.0
  Er  Er7  1  0.37647021  0.74941734  0.31007972  1.0
  Er  Er8  1  0.55421342  0.74999038  0.99845667  1.0
  Er  Er9  1  0.44578658  0.25000962  0.00154333  1.0
  Er  Er10  1  0.05399813  0.25058183  0.50143711  1.0
  Er  Er11  1  0.94600187  0.74941817  0.49856289  1.0
  Er  Er12  1  0.67467853  0.04215049  0.43336662  1.0
  Er  Er13  1  0.32532147  0.95784951  0.56663338  1.0
  Tm  Tm14  1  0.82639011  0.45748353  0.93344568  1.0
  Tm  Tm15  1  0.17360989  0.54251647  0.06655432  1.0
  Tm  Tm16  1  0.32648939  0.54265487  0.56665485  1.0
  Tm  Tm17  1  0.17367498  0.95743536  0.06647947  1.0
  Tm  Tm18  1  0.67351061  0.45734513  0.43334515  1.0
  Tm  Tm19  1  0.82632502  0.04256464  0.93352053  1.0
  Bi  Bi20  1  0.93458278  0.00917644  0.67254716  1.0
  Bi  Bi21  1  0.06541722  0.99082356  0.32745284  1.0
  Bi  Bi22  1  0.43537729  0.99110896  0.82745996  1.0
  Bi  Bi23  1  0.06463839  0.50902385  0.32719334  1.0
  Bi  Bi24  1  0.56462271  0.00889104  0.17254004  1.0
  Bi  Bi25  1  0.93536161  0.49097615  0.67280666  1.0
  Bi  Bi26  1  0.56493277  0.49093813  0.17247464  1.0
  Bi  Bi27  1  0.43506723  0.50906187  0.82752536  1.0
  Rh  Rh28  1  0.92750341  0.75004058  0.99054636  1.0
  Rh  Rh29  1  0.07249659  0.24995942  0.00945364  1.0
  Rh  Rh30  1  0.42731267  0.25085840  0.50947750  1.0
  Rh  Rh31  1  0.57268733  0.74914160  0.49052250  1.0

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