Er19Tm(Bi2Ru)4

High-Entropy Materials HEA

MP-ID: mp-3293024 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Er19Tm(Bi2Ru)4

MP-ID

mp-3293024

Elements

Sites

Density

10.3792

g/cm³

Volume

867.61

Å³

Cell a

7.8952

Cell b

8.8890

Cell c

12.3624

α Angle

89.98

β Angle

90.01

γ Angle

89.98

Space Group

Point Group

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
15.01	5.9039	1.8	(1,1,0)
15.01	5.9021	1.7	(1,-1,0)
18.23	4.8674	2.5	(1,0,-2)
18.23	4.8667	2.5	(1,0,2)
19.98	4.4445	4.1	(0,2,0)
22.52	3.9476	16.2	(2,0,0)
23.66	3.7607	1.8	(2,0,-1)
23.66	3.7604	1.8	(2,0,1)
24.08	3.6965	1.0	(1,2,1)
24.08	3.6962	1.0	(1,2,-1)
24.08	3.6958	1.0	(1,-2,-1)
24.08	3.6951	1.0	(1,-2,1)
24.36	3.6534	9.0	(1,0,-3)
24.37	3.6529	9.0	(1,0,3)
25.72	3.4638	2.3	(2,1,-1)
25.72	3.4637	2.3	(2,1,1)
25.72	3.4632	2.3	(2,-1,-1)
25.73	3.4628	2.3	(2,-1,1)
27.17	3.2826	8.3	(1,2,2)
27.17	3.2821	8.4	(1,-2,-2)
27.17	3.2820	8.3	(1,2,-2)
27.18	3.2812	8.4	(1,-2,2)
28.65	3.1162	1.7	(2,1,-2)
28.65	3.1162	1.7	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.71520

eV/atom

Energy/atom

-39.75960

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.7596

eV/atom

Volume/atom

27.11

Å³

c/a Ratio

1.5658

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.6949

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000800

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.594

Element Family

Lanthanide

Solute Fraction

0.406

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0243

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5163

J/mol·K

Ω Parameter

4.0846

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4097

smaller = more stable mixing

VEC

9.781

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.313

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7389

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjiu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293024

Reference Citation

The crystal structure and related material properties of Er19Tm(Bi2Ru)4 were obtained from the Materials Project database (MP-ID: mp-3293024, 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_Er19Tm(Bi2Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89524056
_cell_length_b   8.88903393
_cell_length_c   12.36240136
_cell_angle_alpha   89.98391168
_cell_angle_beta   90.00808844
_cell_angle_gamma   89.98192054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er19Tm(Bi2Ru)4
_chemical_formula_sum   'Er19 Tm1 Bi8 Ru4'
_cell_volume   867.60636043
_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
  Er  Er0  1  0.65810182  0.75001655  0.70494097  1.0
  Er  Er1  1  0.34203266  0.24997867  0.29524588  1.0
  Er  Er2  1  0.15797985  0.25016169  0.79519511  1.0
  Er  Er3  1  0.84211166  0.74995685  0.20468844  1.0
  Er  Er4  1  0.12124471  0.74968962  0.81251076  1.0
  Er  Er5  1  0.87820961  0.25035770  0.18744263  1.0
  Er  Er6  1  0.62151313  0.24986049  0.68776311  1.0
  Er  Er7  1  0.37836909  0.75007626  0.31233716  1.0
  Er  Er8  1  0.55506913  0.74961299  0.99628619  1.0
  Er  Er9  1  0.44580494  0.25025077  0.00366435  1.0
  Er  Er10  1  0.05446087  0.25003028  0.50367438  1.0
  Er  Er11  1  0.94544713  0.75002682  0.49633749  1.0
  Er  Er12  1  0.17335804  0.53843703  0.06556864  1.0
  Er  Er13  1  0.32655690  0.53846181  0.56575070  1.0
  Er  Er14  1  0.17364825  0.96175703  0.06555013  1.0
  Er  Er15  1  0.67338182  0.46163828  0.43436331  1.0
  Er  Er16  1  0.82638341  0.03842627  0.93428403  1.0
  Er  Er17  1  0.67347044  0.03838331  0.43437152  1.0
  Er  Er18  1  0.32650244  0.96156903  0.56571263  1.0
  Tm  Tm19  1  0.82744918  0.46139694  0.93425234  1.0
  Bi  Bi20  1  0.93406766  0.00740336  0.67228548  1.0
  Bi  Bi21  1  0.06579520  0.99269849  0.32762572  1.0
  Bi  Bi22  1  0.43378404  0.99242932  0.82795018  1.0
  Bi  Bi23  1  0.06592275  0.50741401  0.32771970  1.0
  Bi  Bi24  1  0.56601351  0.00741079  0.17215861  1.0
  Bi  Bi25  1  0.93387935  0.49251662  0.67227436  1.0
  Bi  Bi26  1  0.56579493  0.49264877  0.17237376  1.0
  Bi  Bi27  1  0.43451698  0.50726031  0.82787797  1.0
  Ru  Ru28  1  0.93135860  0.74968473  0.99229766  1.0
  Ru  Ru29  1  0.06776799  0.25043361  0.00741473  1.0
  Ru  Ru30  1  0.43160336  0.24996748  0.50771371  1.0
  Ru  Ru31  1  0.56840154  0.75004310  0.49236834  1.0

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